1-(1,3-benzothiazol-2-yl)-5-ethyl-pyrazole-3-carboxylate

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-5-ethyl-pyrazole-3-carboxylate Openeye Name: 1-(1,3-benzothiazol-2-yl)-5-ethyl-pyrazole-3-carboxylate CAS Name: 1-(1,3-benzothiazol-2-yl)-5-ethyl-3-pyrazolecarboxylate IUPAC Name: 1-(1,3-benzothiazol-2-yl)-5-ethylpyrazole-3-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-yl)-5-ethyl-pyrazole-3-carboxylate Formula: C13H10N3O2S- MolecularWeight: 272.3024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=CC=CC=C3S2)C(=O)[O-]

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=CC=CC=C3S2)C(=O)[O-]

InChI

InChI=1S/C13H11N3O2S/c1-2-8-7-10(12(17)18)15-16(8)13-14-9-5-3-4-6-11(9)19-13/h3-7H,2H2,1H3,(H,17,18)/p-1