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

Systemtic Name: 5-phenyl-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: 5-phenyl-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid CAS Name: 2-(3-mercapto-1-oxopropyl)-5-phenyl-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: 5-phenyl-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: 2-(3-mercaptopropanoyl)-5-phenyl-2-pyrazoline-3-carboxylic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c16-12(6-7-19)15-11(13(17)18)8-10(14-15)9-4-2-1-3-5-9/h1-5,11,19H,6-8H2,(H,17,18)