1-(4-Methylphenyl)-3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog No. :: ACDJXF591
CAS No. :: 691868-96-9
Molecular Formula :: C21H19F3N2S
Molecular Weight :: 388.46

IUPAC Name:1-(p-tolyl)-3-((3,4,4-trifluorobut-3-en-1-yl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

1-(4-Methylphenyl)-3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile structure diagram

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Product Name	1-(4-Methylphenyl)-3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
IUPAC Name	1-(p-tolyl)-3-((3,4,4-trifluorobut-3-en-1-yl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
MDL No.	MFCD03102501
Molecular Formula	C21H19F3N2S
Molecular Weight	388.46
SMILES	N#CC1=C(SCCC(F)=C(F)F)N=C(C2=CC=C(C)C=C2)C3=C1CCCC3
InChI Key	AECGBWCYHHLDIB-UHFFFAOYSA-N
Synonym	1-(4-METHYLPHENYL)-3-[(3,4,4-TRIFLUORO-3-BUTENYL)SULFANYL]-5,6,7,8-TETRAHYDRO-4-ISOQUINOLINECARBONITRILE;1-(4-Methylphenyl)-3-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-5,6,7,8-tetrahydro-4-isoquinolineca;4-Isoquinolinecarbonitrile, 5,6,7,8-tetrahydro-1-(4-methylphenyl)-3-[(3,4,4-trifluoro-3-buten-1-yl)thio]-
CAS No.	691868-96-9

Safety Data

Pictogram
Signal Word: Achtung
Hazard Statement(s): H302-H315-H319-H335
Precautionary Statement(s): P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501

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1-(4-Methylphenyl)-3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

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Synthetic Route by SureRoute

1. ACDJXF591 Molecular Building Block Synthetic Route

2. ACDJXF591 Molecular Building Block Synthetic Route

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1-(4-Methylphenyl)-3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

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Safety Data

Synthetic Route by SureRoute

3-[(Cyanomethyl)sulfanyl]-1-(4-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

1-(4-Chlorophenyl)-3-[(3-fluoropropyl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

3-[(Cyanomethyl)sulfanyl]-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

3-[(Cyanomethyl)sulfanyl]-1-(3-methylphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

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