N-[[2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methylphenyl)imidazol-4-yl]methyl]-4-fluoranyl-aniline

Systemtic Name: N-[[2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methylphenyl)imidazol-4-yl]methyl]-4-fluoranyl-aniline Openeye Name: N-[[2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(p-tolyl)imidazol-4-yl]methyl]-4-fluoro-aniline CAS Name: N-[[2-(1H-benzimidazol-2-ylmethylthio)-3-(4-methylphenyl)-4-imidazolyl]methyl]-4-fluoroaniline IUPAC Name: N-[[2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-(4-methylphenyl)imidazol-4-yl]methyl]-4-fluoroaniline Traditional Name: [2-(1H-benzimidazol-2-ylmethylthio)-3-(p-tolyl)imidazol-4-yl]methyl-(4-fluorophenyl)amine Formula: C25H22FN5S MolecularWeight: 443.539083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CN=C2SCC3=NC4=CC=CC=C4N3)CNC5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CN=C2SCC3=NC4=CC=CC=C4N3)CNC5=CC=C(C=C5)F

InChI

InChI=1S/C25H22FN5S/c1-17-6-12-20(13-7-17)31-21(14-27-19-10-8-18(26)9-11-19)15-28-25(31)32-16-24-29-22-4-2-3-5-23(22)30-24/h2-13,15,27H,14,16H2,1H3,(H,29,30)