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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)SCC#N)C#N)C3=CC=CC=C3)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)SCC#N)C#N)C3=CC=CC=C3)C(=O)C1)C

InChI

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