2-[[4-(1-azanyl-1-oxidanylidene-propan-2-yl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(1-azanyl-1-oxidanylidene-propan-2-yl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-amino-1-methyl-2-oxo-ethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(1-amino-1-oxopropan-2-yl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(1-amino-1-oxopropan-2-yl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-amino-2-keto-1-methyl-ethyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H12N4O3S2 MolecularWeight: 312.36798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1C(=NN=C1SCC(=O)O)C2=CC=CS2

Isomeric SMILES

CC(C(=O)N)N1C(=NN=C1SCC(=O)O)C2=CC=CS2

InChI

InChI=1S/C11H12N4O3S2/c1-6(9(12)18)15-10(7-3-2-4-19-7)13-14-11(15)20-5-8(16)17/h2-4,6H,5H2,1H3,(H2,12,18)(H,16,17)