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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-hydroxy-3-methoxy-phenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C24H21ClN2O3S MolecularWeight: 452.95314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=C(C=C4)Cl)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=C(C=C4)Cl)C#N)O

InChI

InChI=1S/C24H21ClN2O3S/c1-30-21-11-15(7-10-19(21)28)22-17(12-26)24(27-18-3-2-4-20(29)23(18)22)31-13-14-5-8-16(25)9-6-14/h5-11,22,27-28H,2-4,13H2,1H3