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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCOC3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCOC3=CC=CC(=C3)[N+](=O)[O-])C

InChI

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