2-(cyanomethylsulfanyl)-6,6-dimethyl-8-oxidanylidene-4-phenyl-1,4,5,7-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-(cyanomethylsulfanyl)-6,6-dimethyl-8-oxidanylidene-4-phenyl-1,4,5,7-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-(cyanomethylsulfanyl)-6,6-dimethyl-8-oxo-4-phenyl-1,4,5,7-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(cyanomethylthio)-6,6-dimethyl-8-oxo-4-phenyl-1,4,5,7-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(cyanomethylsulfanyl)-6,6-dimethyl-8-oxo-4-phenyl-1,4,5,7-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(cyanomethylthio)-8-keto-6,6-dimethyl-4-phenyl-1,4,5,7-tetrahydroquinoline-3-carbonitrile Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)NC(=C(C2C3=CC=CC=C3)C#N)SCC#N)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)NC(=C(C2C3=CC=CC=C3)C#N)SCC#N)C

InChI

InChI=1S/C20H19N3OS/c1-20(2)10-14-17(13-6-4-3-5-7-13)15(12-22)19(25-9-8-21)23-18(14)16(24)11-20/h3-7,17,23H,9-11H2,1-2H3