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

Systemtic Name: 2-butylsulfanyl-4-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 2-butylsulfanyl-4-(4-hydroxy-3-methoxy-phenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 2-(butylthio)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 2-butylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 2-(butylthio)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)O)OC)C#N

Isomeric SMILES

CCCCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)O)OC)C#N

InChI

InChI=1S/C21H24N2O3S/c1-3-4-10-27-21-14(12-22)19(13-8-9-16(24)18(11-13)26-2)20-15(23-21)6-5-7-17(20)25/h8-9,11,19,23-24H,3-7,10H2,1-2H3