4-methyl-3-(2-methylphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-(2-methylphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-[1-(3-nitrophenyl)ethylsulfanyl]-5-(o-tolyl)-1,2,4-triazole CAS Name: 4-methyl-3-(2-methylphenyl)-5-[1-(3-nitrophenyl)ethylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-methylphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[1-(3-nitrophenyl)ethylthio]-5-(o-tolyl)-1,2,4-triazole Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O2S/c1-12-7-4-5-10-16(12)17-19-20-18(21(17)3)25-13(2)14-8-6-9-15(11-14)22(23)24/h4-11,13H,1-3H3