(6Z)-4-ethyl-6-[4-(4-methoxy-3-morpholin-4-yl-phenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-4-ethyl-6-[4-(4-methoxy-3-morpholin-4-yl-phenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-4-ethyl-3-hydroxy-6-[4-(4-methoxy-3-morpholino-phenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-4-ethyl-3-hydroxy-6-[5-mercapto-4-[4-methoxy-3-(4-morpholinyl)phenyl]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-4-ethyl-3-hydroxy-6-[4-(4-methoxy-3-morpholin-4-ylphenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-4-ethyl-3-hydroxy-6-[5-mercapto-4-(4-methoxy-3-morpholino-phenyl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)S)C3=CC(=C(C=C3)OC)N4CCOCC4)C(=O)C=C1O

Isomeric SMILES

CCC1=C/C(=C/2\C(=C(NN2)S)C3=CC(=C(C=C3)OC)N4CCOCC4)/C(=O)C=C1O

InChI

InChI=1S/C22H25N3O4S/c1-3-13-10-15(18(27)12-17(13)26)21-20(22(30)24-23-21)14-4-5-19(28-2)16(11-14)25-6-8-29-9-7-25/h4-5,10-12,23-24,26,30H,3,6-9H2,1-2H3/b21-15-