3-methylsulfanyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-methylsulfanyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-methylsulfanyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(methylthio)-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-methylsulfanyl-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(methylthio)-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C12H11F3N2S MolecularWeight: 272.28935

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2CCCCC2=C1C#N)C(F)(F)F

Isomeric SMILES

CSC1=NC(=C2CCCCC2=C1C#N)C(F)(F)F

InChI

InChI=1S/C12H11F3N2S/c1-18-11-9(6-16)7-4-2-3-5-8(7)10(17-11)12(13,14)15/h2-5H2,1H3