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

Systemtic Name: 1-[[4-(4-chlorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-benzimidazole Openeye Name: 1-[[4-(4-chlorophenyl)-5-isopropylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-methyl-benzimidazole CAS Name: 1-[[4-(4-chlorophenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-2-methylbenzimidazole IUPAC Name: 1-[[4-(4-chlorophenyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-2-methylbenzimidazole Traditional Name: 1-[[4-(4-chlorophenyl)-5-(isopropylthio)-1,2,4-triazol-3-yl]methyl]-2-methyl-benzimidazole Formula: C20H20ClN5S MolecularWeight: 397.9243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CC3=NN=C(N3C4=CC=C(C=C4)Cl)SC(C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CC3=NN=C(N3C4=CC=C(C=C4)Cl)SC(C)C

InChI

InChI=1S/C20H20ClN5S/c1-13(2)27-20-24-23-19(26(20)16-10-8-15(21)9-11-16)12-25-14(3)22-17-6-4-5-7-18(17)25/h4-11,13H,12H2,1-3H3