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

Systemtic Name: (6Z)-6-[4-(1,3-benzothiazol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-4-propan-2-yl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[4-(1,3-benzothiazol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-4-isopropyl-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[4-(1,3-benzothiazol-4-yl)-5-mercapto-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-4-propan-2-yl-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[4-(1,3-benzothiazol-4-yl)-5-sulfanyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-4-propan-2-ylcyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[4-(1,3-benzothiazol-4-yl)-5-mercapto-3-pyrazolin-3-ylidene]-3-hydroxy-4-isopropyl-cyclohexa-2,4-dien-1-one Formula: C19H17N3O2S2 MolecularWeight: 383.48718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C(NN2)S)C3=C4C(=CC=C3)SC=N4)C(=O)C=C1O

Isomeric SMILES

CC(C)C1=C/C(=C/2\C(=C(NN2)S)C3=C4C(=CC=C3)SC=N4)/C(=O)C=C1O

InChI

InChI=1S/C19H17N3O2S2/c1-9(2)11-6-12(14(24)7-13(11)23)18-16(19(25)22-21-18)10-4-3-5-15-17(10)20-8-26-15/h3-9,21-23,25H,1-2H3/b18-12-