4-(4-methoxyphenyl)-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(4-methoxyphenyl)-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(4-methoxyphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-(p-tolyl)-1,2,4-triazole CAS Name: 4-(4-methoxyphenyl)-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(4-methoxyphenyl)-3-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(4-methoxyphenyl)-3-[(4-nitrobenzyl)thio]-5-(p-tolyl)-1,2,4-triazole Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O3S/c1-16-3-7-18(8-4-16)22-24-25-23(26(22)19-11-13-21(30-2)14-12-19)31-15-17-5-9-20(10-6-17)27(28)29/h3-14H,15H2,1-2H3