methyl 4-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-4-oxo-butanoate CAS Name: 4-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(5-amino-3-methylsulfanyl-1,2,4-triazol-1-yl)-4-oxobutanoate Traditional Name: 4-[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-4-keto-butyric acid methyl ester Formula: C8H12N4O3S MolecularWeight: 244.27088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1C(=NC(=N1)SC)N

Isomeric SMILES

COC(=O)CCC(=O)N1C(=NC(=N1)SC)N

InChI

InChI=1S/C8H12N4O3S/c1-15-6(14)4-3-5(13)12-7(9)10-8(11-12)16-2/h3-4H2,1-2H3,(H2,9,10,11)