[(3-methylsulfanyl-1,2,4-triazol-1-yl)-(3-nitrophenyl)methyl] ethanoate

Systemtic Name: [(3-methylsulfanyl-1,2,4-triazol-1-yl)-(3-nitrophenyl)methyl] ethanoate Openeye Name: [(3-methylsulfanyl-1,2,4-triazol-1-yl)-(3-nitrophenyl)methyl] acetate CAS Name: acetic acid [[3-(methylthio)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methyl] ester IUPAC Name: [(3-methylsulfanyl-1,2,4-triazol-1-yl)-(3-nitrophenyl)methyl] acetate Traditional Name: acetic acid [[3-(methylthio)-1,2,4-triazol-1-yl]-(3-nitrophenyl)methyl] ester Formula: C12H12N4O4S MolecularWeight: 308.31308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC(=CC=C1)[N+](=O)[O-])N2C=NC(=N2)SC

Isomeric SMILES

CC(=O)OC(C1=CC(=CC=C1)[N+](=O)[O-])N2C=NC(=N2)SC

InChI

InChI=1S/C12H12N4O4S/c1-8(17)20-11(15-7-13-12(14-15)21-2)9-4-3-5-10(6-9)16(18)19/h3-7,11H,1-2H3