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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O2S/c1-26(2,3)22-14-12-21(13-15-22)24-27-28-25(29(24)17-19-8-5-4-6-9-19)33-18-20-10-7-11-23(16-20)30(31)32/h4-16H,17-18H2,1-3H3