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

Systemtic Name: 3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(methylthio)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(methylthio)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C18H15F3N2S MolecularWeight: 348.38531

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2CCCCC2=C1C#N)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CSC1=NC(=C2CCCCC2=C1C#N)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H15F3N2S/c1-24-17-15(10-22)13-7-2-3-8-14(13)16(23-17)11-5-4-6-12(9-11)18(19,20)21/h4-6,9H,2-3,7-8H2,1H3