[2-[(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)carbonyl]phenyl] ethanoate

Systemtic Name: [2-[(5-azanyl-3-methylsulfanyl-1,2,4-triazol-1-yl)carbonyl]phenyl] ethanoate Openeye Name: [2-(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbonyl)phenyl] acetate CAS Name: acetic acid [2-[[5-amino-3-(methylthio)-1,2,4-triazol-1-yl]-oxomethyl]phenyl] ester IUPAC Name: [2-(5-amino-3-methylsulfanyl-1,2,4-triazole-1-carbonyl)phenyl] acetate Traditional Name: acetic acid [2-[5-amino-3-(methylthio)-1,2,4-triazole-1-carbonyl]phenyl] ester Formula: C12H12N4O3S MolecularWeight: 292.31368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)N2C(=NC(=N2)SC)N

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)N2C(=NC(=N2)SC)N

InChI

InChI=1S/C12H12N4O3S/c1-7(17)19-9-6-4-3-5-8(9)10(18)16-11(13)14-12(15-16)20-2/h3-6H,1-2H3,(H2,13,14,15)