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

Systemtic Name: 4-methyl-3-(2-methylphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-[2-(3-nitrophenoxy)ethylsulfanyl]-5-(o-tolyl)-1,2,4-triazole CAS Name: 4-methyl-3-(2-methylphenyl)-5-[2-(3-nitrophenoxy)ethylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-methylphenyl)-5-[2-(3-nitrophenoxy)ethylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[2-(3-nitrophenoxy)ethylthio]-5-(o-tolyl)-1,2,4-triazole Formula: C18H18N4O3S MolecularWeight: 370.42552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCCOC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCCOC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-13-6-3-4-9-16(13)17-19-20-18(21(17)2)26-11-10-25-15-8-5-7-14(12-15)22(23)24/h3-9,12H,10-11H2,1-2H3