methyl 3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 3-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C12H12N4O3S MolecularWeight: 292.31368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NN2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=NN2

InChI

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