3-(5-chloranylthiophen-2-yl)-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-(5-chloro-2-thienyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-(5-chloro-2-thiophenyl)-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(5-chlorothiophen-2-yl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-(5-chloro-2-thienyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C9H7ClN2O2S MolecularWeight: 242.68208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(S2)Cl)C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(S2)Cl)C(=O)O

InChI

InChI=1S/C9H7ClN2O2S/c1-12-4-5(9(13)14)8(11-12)6-2-3-7(10)15-6/h2-4H,1H3,(H,13,14)