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

Systemtic Name: 3-(5-chloranylthiophen-2-yl)-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-3-(5-chloro-2-thienyl)pyrazole-4-carboxylic acid CAS Name: 3-(5-chloro-2-thiophenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-3-(5-chlorothiophen-2-yl)pyrazole-4-carboxylic acid Traditional Name: 1-benzyl-3-(5-chloro-2-thienyl)pyrazole-4-carboxylic acid Formula: C15H11ClN2O2S MolecularWeight: 318.77804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(S3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C15H11ClN2O2S/c16-13-7-6-12(21-13)14-11(15(19)20)9-18(17-14)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,19,20)