2-(1,3-benzothiazol-2-yl)-1,5-dimethyl-4-oxidanyl-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-1,5-dimethyl-4-oxidanyl-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-hydroxy-1,5-dimethyl-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-hydroxy-1,5-dimethyl-3-pyrazolone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-hydroxy-1,5-dimethylpyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-hydroxy-1,5-dimethyl-3-pyrazolin-3-one Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C12H11N3O2S/c1-7-10(16)11(17)15(14(7)2)12-13-8-5-3-4-6-9(8)18-12/h3-6,16H,1-2H3