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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(2-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(2-methylphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(2-methylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(4-nitrobenzyl)thio]-4-(o-tolyl)-1,2,4-triazole Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H26N4O2S/c1-18-7-5-6-8-23(18)29-24(20-11-13-21(14-12-20)26(2,3)4)27-28-25(29)33-17-19-9-15-22(16-10-19)30(31)32/h5-16H,17H2,1-4H3