3-(3-methyl-5-sulfanylidene-1,4-dihydropyrazol-4-yl)propanoic acid

Systemtic Name: 3-(3-methyl-5-sulfanylidene-1,4-dihydropyrazol-4-yl)propanoic acid Openeye Name: 3-(3-methyl-5-thioxo-1,4-dihydropyrazol-4-yl)propanoic acid CAS Name: 3-(3-methyl-5-sulfanylidene-1,4-dihydropyrazol-4-yl)propanoic acid IUPAC Name: 3-(3-methyl-5-sulfanylidene-1,4-dihydropyrazol-4-yl)propanoic acid Traditional Name: 3-(3-methyl-5-thioxo-2-pyrazolin-4-yl)propionic acid Formula: C7H10N2O2S MolecularWeight: 186.2315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)C1CCC(=O)O

Isomeric SMILES

CC1=NNC(=S)C1CCC(=O)O

InChI

InChI=1S/C7H10N2O2S/c1-4-5(2-3-6(10)11)7(12)9-8-4/h5H,2-3H2,1H3,(H,9,12)(H,10,11)