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

Systemtic Name: 3,4-bis(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-4,5-bis(p-tolyl)-1,2,4-triazole CAS Name: 3,4-bis(4-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3,4-bis(4-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(4-nitrobenzyl)thio]-4,5-bis(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)C2=NN=C(N2C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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