3-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile

Systemtic Name: 3-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Openeye Name: 3-thioxo-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile CAS Name: 3-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile IUPAC Name: 3-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Traditional Name: 3-thioxo-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Formula: C17H13F3N2S MolecularWeight: 334.35873

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(NC(=S)C(=C2C1)C#N)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCC2=C(NC(=S)C(=C2C1)C#N)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3N2S/c18-17(19,20)11-5-3-4-10(8-11)15-13-7-2-1-6-12(13)14(9-21)16(23)22-15/h3-5,8H,1-2,6-7H2,(H,22,23)