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

Systemtic Name: 1-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-benzimidazole Openeye Name: 1-[[4-(4-chlorophenyl)-5-sec-butylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-benzimidazole CAS Name: 1-[[5-(butan-2-ylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-methylbenzimidazole IUPAC Name: 1-[[5-butan-2-ylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-2-methylbenzimidazole Traditional Name: 1-[[4-(4-chlorophenyl)-5-(sec-butylthio)-1,2,4-triazol-3-yl]methyl]-2-methyl-benzimidazole Formula: C21H22ClN5S MolecularWeight: 411.95088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5S/c1-4-14(2)28-21-25-24-20(27(21)17-11-9-16(22)10-12-17)13-26-15(3)23-18-7-5-6-8-19(18)26/h5-12,14H,4,13H2,1-3H3