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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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