(6Z)-4-ethyl-3-oxidanyl-6-[4-(3-pyrrolidin-1-ylphenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-4-ethyl-3-oxidanyl-6-[4-(3-pyrrolidin-1-ylphenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-4-ethyl-3-hydroxy-6-[4-(3-pyrrolidin-1-ylphenyl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-4-ethyl-3-hydroxy-6-[5-mercapto-4-[3-(1-pyrrolidinyl)phenyl]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-4-ethyl-3-hydroxy-6-[4-(3-pyrrolidin-1-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-(3-pyrrolidinophenyl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)S)C3=CC(=CC=C3)N4CCCC4)C(=O)C=C1O

Isomeric SMILES

CCC1=C/C(=C/2\C(=C(NN2)S)C3=CC(=CC=C3)N4CCCC4)/C(=O)C=C1O

InChI

InChI=1S/C21H23N3O2S/c1-2-13-11-16(18(26)12-17(13)25)20-19(21(27)23-22-20)14-6-5-7-15(10-14)24-8-3-4-9-24/h5-7,10-12,22-23,25,27H,2-4,8-9H2,1H3/b20-16-