1-(1,3-benzothiazol-6-yl)-5-ethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(1,3-benzothiazol-6-yl)-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(1,3-benzothiazol-6-yl)-5-ethyl-pyrazole-4-carboxylic acid CAS Name: 1-(1,3-benzothiazol-6-yl)-5-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(1,3-benzothiazol-6-yl)-5-ethylpyrazole-4-carboxylic acid Traditional Name: 1-(1,3-benzothiazol-6-yl)-5-ethyl-pyrazole-4-carboxylic acid Formula: C13H11N3O2S MolecularWeight: 273.31034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC3=C(C=C2)N=CS3)C(=O)O

Isomeric SMILES

CCC1=C(C=NN1C2=CC3=C(C=C2)N=CS3)C(=O)O

InChI

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