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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=C(C=C2)C)CN3C(=NC4=CC=CC=C43)C

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=C(C=C2)C)CN3C(=NC4=CC=CC=C43)C

InChI

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