3-methyl-5-[2-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[2-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[2-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[2-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-[2-(1,2,4-triazol-1-yl)propanoylamino]-2-thenoic acid Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C(C)N2C=NC=N2)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)C(C)N2C=NC=N2)C(=O)O

InChI

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