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

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid Openeye Name: 3-(5-chloro-2-thienyl)-1-isobutyl-pyrazole-4-carboxylic acid CAS Name: 3-(5-chloro-2-thiophenyl)-1-(2-methylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-(5-chlorothiophen-2-yl)-1-(2-methylpropyl)pyrazole-4-carboxylic acid Traditional Name: 3-(5-chloro-2-thienyl)-1-isobutyl-pyrazole-4-carboxylic acid Formula: C12H13ClN2O2S MolecularWeight: 284.76182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O2S/c1-7(2)5-15-6-8(12(16)17)11(14-15)9-3-4-10(13)18-9/h3-4,6-7H,5H2,1-2H3,(H,16,17)