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

Systemtic Name: methyl 2-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]acetic acid methyl ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

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