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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NNC(=N1)N

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NNC(=N1)N

InChI

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