1-[[5-butan-2-ylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-benzimidazole

Systemtic Name: 1-[[5-butan-2-ylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-benzimidazole Openeye Name: 2-methyl-1-[[4-(p-tolyl)-5-sec-butylsulfanyl-1,2,4-triazol-3-yl]methyl]benzimidazole CAS Name: 1-[[5-(butan-2-ylthio)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-methylbenzimidazole IUPAC Name: 1-[[5-butan-2-ylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-methylbenzimidazole Traditional Name: 2-methyl-1-[[4-(p-tolyl)-5-(sec-butylthio)-1,2,4-triazol-3-yl]methyl]benzimidazole Formula: C22H25N5S MolecularWeight: 391.5324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)C)CN3C(=NC4=CC=CC=C43)C

Isomeric SMILES

CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)C)CN3C(=NC4=CC=CC=C43)C

InChI

InChI=1S/C22H25N5S/c1-5-16(3)28-22-25-24-21(27(22)18-12-10-15(2)11-13-18)14-26-17(4)23-19-8-6-7-9-20(19)26/h6-13,16H,5,14H2,1-4H3