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

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazole Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3S/c1-26(2,3)20-9-7-19(8-10-20)24-27-28-25(29(24)21-13-15-23(33-4)16-14-21)34-17-18-5-11-22(12-6-18)30(31)32/h5-16H,17H2,1-4H3