1-(4-chlorophenyl)-4-ethyl-5-(4-methylthiophen-2-yl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-chlorophenyl)-4-ethyl-5-(4-methylthiophen-2-yl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-chlorophenyl)-4-ethyl-5-(4-methyl-2-thienyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-chlorophenyl)-4-ethyl-5-(4-methyl-2-thiophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-chlorophenyl)-4-ethyl-5-(4-methylthiophen-2-yl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-chlorophenyl)-4-ethyl-5-(4-methyl-2-thienyl)pyrazole-3-carboxylic acid Formula: C17H15ClN2O2S MolecularWeight: 346.8312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)Cl)C3=CC(=CS3)C

Isomeric SMILES

CCC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)Cl)C3=CC(=CS3)C

InChI

InChI=1S/C17H15ClN2O2S/c1-3-13-15(17(21)22)19-20(12-6-4-11(18)5-7-12)16(13)14-8-10(2)9-23-14/h4-9H,3H2,1-2H3,(H,21,22)