methyl 4-[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(2H-triazol-4-ylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2H-triazol-4-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNN=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNN=C2

InChI

InChI=1S/C12H12N4O3S/c1-19-12(18)8-2-4-9(5-3-8)14-10(17)7-20-11-6-13-16-15-11/h2-6H,7H2,1H3,(H,14,17)(H,13,15,16)