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

Systemtic Name: 2-(3-sulfanylpropanoyl)-5-thiophen-2-yl-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: 2-(3-sulfanylpropanoyl)-5-(2-thienyl)-3,4-dihydropyrazole-3-carboxylic acid CAS Name: 2-(3-mercapto-1-oxopropyl)-5-thiophen-2-yl-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: 2-(3-sulfanylpropanoyl)-5-thiophen-2-yl-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: 2-(3-mercaptopropanoyl)-5-(2-thienyl)-2-pyrazoline-3-carboxylic acid Formula: C11H12N2O3S2 MolecularWeight: 284.35458

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CCS)C(=O)O

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)CCS)C(=O)O

InChI

InChI=1S/C11H12N2O3S2/c14-10(3-4-17)13-8(11(15)16)6-7(12-13)9-2-1-5-18-9/h1-2,5,8,17H,3-4,6H2,(H,15,16)