2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[5-(4-tert-butylphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C27H27N5S MolecularWeight: 453.60178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C27H27N5S/c1-18-9-15-21(16-10-18)32-25(19-11-13-20(14-12-19)27(2,3)4)30-31-26(32)33-17-24-28-22-7-5-6-8-23(22)29-24/h5-16H,17H2,1-4H3,(H,28,29)