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

Systemtic Name: 3-(3-methylphenyl)-4-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(m-tolyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-(3-methylphenyl)-4-(4-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(3-methylphenyl)-4-(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(m-tolyl)-5-[(4-nitrobenzyl)thio]-4-(p-tolyl)-1,2,4-triazole Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O2S/c1-16-6-10-20(11-7-16)26-22(19-5-3-4-17(2)14-19)24-25-23(26)30-15-18-8-12-21(13-9-18)27(28)29/h3-14H,15H2,1-2H3