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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolin-3-ylidene]-3-hydroxy-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=CC(=O)C=C2O)NN1)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=C2C=CC(=O)C=C2O)NN1)C3=NC4=CC=CC=C4S3

InChI

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