2-(1,3-benzothiazol-2-yl)-4-ethanoyl-5-methyl-pyrazol-3-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-ethanoyl-5-methyl-pyrazol-3-olate Openeye Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-olate CAS Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazololate IUPAC Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-olate Traditional Name: 4-acetyl-2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-olate Formula: C13H10N3O2S- MolecularWeight: 272.3024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=NN(C(=C1C(=O)C)[O-])C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H11N3O2S/c1-7-11(8(2)17)12(18)16(15-7)13-14-9-5-3-4-6-10(9)19-13/h3-6,18H,1-2H3/p-1