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

Systemtic Name: 3-(5-methylthiophen-2-yl)-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-3-(5-methyl-2-thienyl)pyrazole-4-carboxylic acid CAS Name: 3-(5-methyl-2-thiophenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-3-(5-methylthiophen-2-yl)pyrazole-4-carboxylic acid Traditional Name: 1-benzyl-3-(5-methyl-2-thienyl)pyrazole-4-carboxylic acid Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NN(C=C2C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)C2=NN(C=C2C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C16H14N2O2S/c1-11-7-8-14(21-11)15-13(16(19)20)10-18(17-15)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,19,20)