(4E)-4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-2-methyl-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-2-methyl-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-2-methyl-cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-2-methyl-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-2-methylcyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[4-(1,3-benzothiazol-2-yl)-3-pyrazolin-3-ylidene]-3-hydroxy-2-methyl-cyclohexa-2,5-dien-1-one Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=CNN2)C3=NC4=CC=CC=C4S3)C=CC1=O)O

Isomeric SMILES

CC1=C(/C(=C/2\C(=CNN2)C3=NC4=CC=CC=C4S3)/C=CC1=O)O

InChI

InChI=1S/C17H13N3O2S/c1-9-13(21)7-6-10(16(9)22)15-11(8-18-20-15)17-19-12-4-2-3-5-14(12)23-17/h2-8,18,20,22H,1H3/b15-10+