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

Systemtic Name: 2-[[4-(1-azanyl-1-oxidanylidene-propan-2-yl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-amino-1-methyl-2-oxo-ethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(1-amino-1-oxopropan-2-yl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(1-amino-1-oxopropan-2-yl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-amino-2-keto-1-methyl-ethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S/c1-8(11(14)20)17-12(9-5-3-2-4-6-9)15-16-13(17)21-7-10(18)19/h2-6,8H,7H2,1H3,(H2,14,20)(H,18,19)