2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(3,5-dimethyl-1H-pyrazol-4-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-(methylthio)butyric acid Formula: C11H17N3O3S MolecularWeight: 271.33598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C11H17N3O3S/c1-6-9(7(2)14-13-6)10(15)12-8(11(16)17)4-5-18-3/h8H,4-5H2,1-3H3,(H,12,15)(H,13,14)(H,16,17)