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

Systemtic Name: (6Z)-4-ethyl-6-[4-(3-ethyl-2-methyl-benzimidazol-5-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-4-ethyl-6-[4-(3-ethyl-2-methyl-benzimidazol-5-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-4-ethyl-6-[4-(3-ethyl-2-methyl-5-benzimidazolyl)-5-mercapto-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-4-ethyl-6-[4-(3-ethyl-2-methylbenzimidazol-5-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-4-ethyl-6-[4-(3-ethyl-2-methyl-benzimidazol-5-yl)-5-mercapto-3-pyrazolin-3-ylidene]-3-hydroxy-cyclohexa-2,4-dien-1-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)S)C3=CC4=C(C=C3)N=C(N4CC)C)C(=O)C=C1O

Isomeric SMILES

CCC1=C/C(=C/2\C(=C(NN2)S)C3=CC4=C(C=C3)N=C(N4CC)C)/C(=O)C=C1O

InChI

InChI=1S/C21H22N4O2S/c1-4-12-8-14(18(27)10-17(12)26)20-19(21(28)24-23-20)13-6-7-15-16(9-13)25(5-2)11(3)22-15/h6-10,23-24,26,28H,4-5H2,1-3H3/b20-14-