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

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-hydroxy-3-methoxy-phenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 2-[(2-chlorophenyl)methylthio]-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 2-[(2-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=CC=C4Cl)C#N)O

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClN2O3S/c1-30-21-11-14(9-10-19(21)28)22-16(12-26)24(27-18-7-4-8-20(29)23(18)22)31-13-15-5-2-3-6-17(15)25/h2-3,5-6,9-11,22,27-28H,4,7-8,13H2,1H3