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

Systemtic Name: (6Z)-4-ethyl-6-[4-(1-ethylbenzimidazol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-4-ethyl-6-[4-(1-ethylbenzimidazol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-4-ethyl-6-[4-(1-ethyl-4-benzimidazolyl)-5-mercapto-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-4-ethyl-6-[4-(1-ethylbenzimidazol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-4-ethyl-6-[4-(1-ethylbenzimidazol-4-yl)-5-mercapto-3-pyrazolin-3-ylidene]-3-hydroxy-cyclohexa-2,4-dien-1-one Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)S)C3=C4C(=CC=C3)N(C=N4)CC)C(=O)C=C1O

Isomeric SMILES

CCC1=C/C(=C/2\C(=C(NN2)S)C3=C4C(=CC=C3)N(C=N4)CC)/C(=O)C=C1O

InChI

InChI=1S/C20H20N4O2S/c1-3-11-8-13(16(26)9-15(11)25)19-17(20(27)23-22-19)12-6-5-7-14-18(12)21-10-24(14)4-2/h5-10,22-23,25,27H,3-4H2,1-2H3/b19-13-