2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 2-[(2-chlorophenyl)methylthio]-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 2-[(2-chlorobenzyl)thio]-5-keto-4-(4-methoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C24H21ClN2O2S MolecularWeight: 436.95374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4Cl)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C24H21ClN2O2S/c1-29-17-11-9-15(10-12-17)22-18(13-26)24(27-20-7-4-8-21(28)23(20)22)30-14-16-5-2-3-6-19(16)25/h2-3,5-6,9-12,22,27H,4,7-8,14H2,1H3