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

Systemtic Name: methyl 2-[[5-azanyl-4-(2-azanyl-2-oxidanylidene-ethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-amino-4-(2-amino-2-oxo-ethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-amino-4-(2-amino-2-oxoethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-amino-4-(2-amino-2-oxoethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-amino-4-(2-amino-2-keto-ethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C7H11N5O3S MolecularWeight: 245.25894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CC(=O)N)N

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CC(=O)N)N

InChI

InChI=1S/C7H11N5O3S/c1-15-5(14)3-16-7-11-10-6(9)12(7)2-4(8)13/h2-3H2,1H3,(H2,8,13)(H2,9,10)