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

Systemtic Name: 5-[2-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylic acid Openeye Name: 5-[2-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylic acid CAS Name: 5-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-(1,2,4-triazol-1-yl)propanoylamino]thiophene-2-carboxylic acid Traditional Name: 5-[2-(1,2,4-triazol-1-yl)propanoylamino]-2-thenoic acid Formula: C10H10N4O3S MolecularWeight: 266.2764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(S1)C(=O)O)N2C=NC=N2

Isomeric SMILES

CC(C(=O)NC1=CC=C(S1)C(=O)O)N2C=NC=N2

InChI

InChI=1S/C10H10N4O3S/c1-6(14-5-11-4-12-14)9(15)13-8-3-2-7(18-8)10(16)17/h2-6H,1H3,(H,13,15)(H,16,17)