5-(4-chlorophenyl)-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid CAS Name: 5-(4-chlorophenyl)-2-(3-mercapto-1-oxopropyl)-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: 5-(4-chlorophenyl)-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-2-(3-mercaptopropanoyl)-2-pyrazoline-3-carboxylic acid Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Cl)C(=O)CCS)C(=O)O

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)Cl)C(=O)CCS)C(=O)O

InChI

InChI=1S/C13H13ClN2O3S/c14-9-3-1-8(2-4-9)10-7-11(13(18)19)16(15-10)12(17)5-6-20/h1-4,11,20H,5-7H2,(H,18,19)