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

Systemtic Name: 5-(5-chloranylthiophen-2-yl)-1-(4-methoxyphenyl)-4-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-(5-chloro-2-thienyl)-1-(4-methoxyphenyl)-4-methyl-pyrazole-3-carboxylic acid CAS Name: 5-(5-chloro-2-thiophenyl)-1-(4-methoxyphenyl)-4-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(5-chlorothiophen-2-yl)-1-(4-methoxyphenyl)-4-methylpyrazole-3-carboxylic acid Traditional Name: 5-(5-chloro-2-thienyl)-1-(4-methoxyphenyl)-4-methyl-pyrazole-3-carboxylic acid Formula: C16H13ClN2O3S MolecularWeight: 348.80402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)OC)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=C(N(N=C1C(=O)O)C2=CC=C(C=C2)OC)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H13ClN2O3S/c1-9-14(16(20)21)18-19(10-3-5-11(22-2)6-4-10)15(9)12-7-8-13(17)23-12/h3-8H,1-2H3,(H,20,21)