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

Systemtic Name: 5-pyridin-2-yl-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: 5-(2-pyridyl)-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid CAS Name: 2-(3-mercapto-1-oxopropyl)-5-(2-pyridinyl)-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: 5-pyridin-2-yl-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: 2-(3-mercaptopropanoyl)-5-(2-pyridyl)-2-pyrazoline-3-carboxylic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=N2)C(=O)CCS)C(=O)O

Isomeric SMILES

C1C(N(N=C1C2=CC=CC=N2)C(=O)CCS)C(=O)O

InChI

InChI=1S/C12H13N3O3S/c16-11(4-6-19)15-10(12(17)18)7-9(14-15)8-3-1-2-5-13-8/h1-3,5,10,19H,4,6-7H2,(H,17,18)