4-methyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole Formula: C11H12N4O3S MolecularWeight: 280.30298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SCCOC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O3S/c1-14-8-12-13-11(14)19-6-5-18-10-4-2-3-9(7-10)15(16)17/h2-4,7-8H,5-6H2,1H3