1-butyl-5-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-2-(phenylmethylsulfanyl)benzimidazole

Systemtic Name: 1-butyl-5-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-2-(phenylmethylsulfanyl)benzimidazole Openeye Name: 2-benzylsulfanyl-1-butyl-5-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]benzimidazole CAS Name: 1-butyl-5-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-2-(phenylmethylthio)benzimidazole IUPAC Name: 2-benzylsulfanyl-1-butyl-5-[(5S)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]benzimidazole Traditional Name: 2-(benzylthio)-1-butyl-5-[(4S)-4-methyl-2-imidazolin-2-yl]benzimidazole Formula: C22H26N4S MolecularWeight: 378.53364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C3=NCC(N3)C)N=C1SCC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C3=NC[C@@H](N3)C)N=C1SCC4=CC=CC=C4

InChI

InChI=1S/C22H26N4S/c1-3-4-12-26-20-11-10-18(21-23-14-16(2)24-21)13-19(20)25-22(26)27-15-17-8-6-5-7-9-17/h5-11,13,16H,3-4,12,14-15H2,1-2H3,(H,23,24)/t16-/m0/s1