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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=CC=C(S2)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=CC=C(S2)Cl)C(=O)O

InChI

InChI=1S/C12H13ClN2O2S/c1-12(2,3)15-6-7(11(16)17)10(14-15)8-4-5-9(13)18-8/h4-6H,1-3H3,(H,16,17)