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

Systemtic Name: 7,7-dimethyl-5-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 7,7-dimethyl-5-oxo-4-phenyl-2-(phenylmethylthio)-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-5-keto-7,7-dimethyl-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C25H24N2OS MolecularWeight: 400.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)SCC3=CC=CC=C3)C#N)C4=CC=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)SCC3=CC=CC=C3)C#N)C4=CC=CC=C4)C(=O)C1)C

InChI

InChI=1S/C25H24N2OS/c1-25(2)13-20-23(21(28)14-25)22(18-11-7-4-8-12-18)19(15-26)24(27-20)29-16-17-9-5-3-6-10-17/h3-12,22,27H,13-14,16H2,1-2H3