3-(2,4-dimethylpentan-3-yl)-5-imidazol-1-yl-1H-benzimidazole-2-thione

Systemtic Name: 3-(2,4-dimethylpentan-3-yl)-5-imidazol-1-yl-1H-benzimidazole-2-thione Openeye Name: 5-imidazol-1-yl-3-(1-isopropyl-2-methyl-propyl)-1H-benzimidazole-2-thione CAS Name: 3-(2,4-dimethylpentan-3-yl)-5-(1-imidazolyl)-1H-benzimidazole-2-thione IUPAC Name: 3-(2,4-dimethylpentan-3-yl)-5-imidazol-1-yl-1H-benzimidazole-2-thione Traditional Name: 5-imidazol-1-yl-3-(1-isopropyl-2-methyl-propyl)-1H-benzimidazole-2-thione Formula: C17H22N4S MolecularWeight: 314.44838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)N1C2=C(C=CC(=C2)N3C=CN=C3)NC1=S

Isomeric SMILES

CC(C)C(C(C)C)N1C2=C(C=CC(=C2)N3C=CN=C3)NC1=S

InChI

InChI=1S/C17H22N4S/c1-11(2)16(12(3)4)21-15-9-13(20-8-7-18-10-20)5-6-14(15)19-17(21)22/h5-12,16H,1-4H3,(H,19,22)