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

Systemtic Name: 2-[[4-(2-azanyl-2-oxidanylidene-ethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(2-amino-2-oxo-ethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-amino-2-oxoethyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(2-amino-2-oxoethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(2-amino-2-keto-ethyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C7H10N4O3S MolecularWeight: 230.2443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC(=O)N)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1CC(=O)N)SCC(=O)O

InChI

InChI=1S/C7H10N4O3S/c1-4-9-10-7(15-3-6(13)14)11(4)2-5(8)12/h2-3H2,1H3,(H2,8,12)(H,13,14)