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

Systemtic Name: 3-(3-methoxyphenyl)-4-(4-methylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(3-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-(3-methoxyphenyl)-4-(4-methylphenyl)-5-[(3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(3-methoxyphenyl)-4-(4-methylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(3-methoxyphenyl)-5-[(3-nitrobenzyl)thio]-4-(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)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)OC

InChI

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