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

Systemtic Name: 4-(4-chlorophenyl)-7,7-dimethyl-5-oxidanylidene-2-(phenylmethylsulfanyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-(phenylmethylthio)-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-4-(4-chlorophenyl)-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C25H23ClN2OS MolecularWeight: 434.98092

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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=C(C=C4)Cl)C(=O)C1)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23ClN2OS/c1-25(2)12-20-23(21(29)13-25)22(17-8-10-18(26)11-9-17)19(14-27)24(28-20)30-15-16-6-4-3-5-7-16/h3-11,22,28H,12-13,15H2,1-2H3