4-(2-methylphenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(2-methylphenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Openeye Name: 3-[1-(3-nitrophenyl)ethylsulfanyl]-4-(o-tolyl)-1,2,4-triazole CAS Name: 4-(2-methylphenyl)-3-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole IUPAC Name: 4-(2-methylphenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Traditional Name: 3-[1-(3-nitrophenyl)ethylthio]-4-(o-tolyl)-1,2,4-triazole Formula: C17H16N4O2S MolecularWeight: 340.39954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O2S/c1-12-6-3-4-9-16(12)20-11-18-19-17(20)24-13(2)14-7-5-8-15(10-14)21(22)23/h3-11,13H,1-2H3