3-methyl-5-[3-(1,2,3-triazol-1-yl)propanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[3-(1,2,3-triazol-1-yl)propanoylamino]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[3-(triazol-1-yl)propanoylamino]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[[1-oxo-3-(1-triazolyl)propyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[3-(triazol-1-yl)propanoylamino]thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-[3-(triazol-1-yl)propanoylamino]-2-thenoic acid Formula: C11H12N4O3S MolecularWeight: 280.30298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)CCN2C=CN=N2)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)CCN2C=CN=N2)C(=O)O

InChI

InChI=1S/C11H12N4O3S/c1-7-6-9(19-10(7)11(17)18)13-8(16)2-4-15-5-3-12-14-15/h3,5-6H,2,4H2,1H3,(H,13,16)(H,17,18)