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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)-3-pyrazolin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C16H11N3O2S MolecularWeight: 309.34244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CNNC3=C4C=CC(=O)C=C4O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CNNC3=C4C=CC(=O)C=C4O

InChI

InChI=1S/C16H11N3O2S/c20-9-5-6-10(13(21)7-9)15-11(8-17-19-15)16-18-12-3-1-2-4-14(12)22-16/h1-8,17,19,21H