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

Systemtic Name: 3-sulfanylidene-1-(trifluoromethyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Openeye Name: 3-thioxo-1-(trifluoromethyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile CAS Name: 3-sulfanylidene-1-(trifluoromethyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile IUPAC Name: 3-sulfanylidene-1-(trifluoromethyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Traditional Name: 3-thioxo-1-(trifluoromethyl)-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Formula: C11H9F3N2S MolecularWeight: 258.26277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9F3N2S/c12-11(13,14)9-7-4-2-1-3-6(7)8(5-15)10(17)16-9/h1-4H2,(H,16,17)