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

Systemtic Name: 1-(4-chlorophenyl)-4-methyl-5-(4-methylthiophen-2-yl)pyrazole-3-carboxylic acid Openeye Name: 1-(4-chlorophenyl)-4-methyl-5-(4-methyl-2-thienyl)pyrazole-3-carboxylic acid CAS Name: 1-(4-chlorophenyl)-4-methyl-5-(4-methyl-2-thiophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-chlorophenyl)-4-methyl-5-(4-methylthiophen-2-yl)pyrazole-3-carboxylic acid Traditional Name: 1-(4-chlorophenyl)-4-methyl-5-(4-methyl-2-thienyl)pyrazole-3-carboxylic acid Formula: C16H13ClN2O2S MolecularWeight: 332.80462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=C(C(=NN2C3=CC=C(C=C3)Cl)C(=O)O)C

Isomeric SMILES

CC1=CSC(=C1)C2=C(C(=NN2C3=CC=C(C=C3)Cl)C(=O)O)C

InChI

InChI=1S/C16H13ClN2O2S/c1-9-7-13(22-8-9)15-10(2)14(16(20)21)18-19(15)12-5-3-11(17)4-6-12/h3-8H,1-2H3,(H,20,21)