2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(2-fluorophenyl)ethyl]-4-bromanyl-aniline

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(2-fluorophenyl)ethyl]-4-bromanyl-aniline Openeye Name: 2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(2-fluorophenyl)ethyl]-4-bromo-aniline CAS Name: 2-[2-(1H-benzimidazol-2-ylmethylthio)-1-(2-fluorophenyl)ethyl]-4-bromoaniline IUPAC Name: 2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-(2-fluorophenyl)ethyl]-4-bromoaniline Traditional Name: [2-[2-(1H-benzimidazol-2-ylmethylthio)-1-(2-fluorophenyl)ethyl]-4-bromo-phenyl]amine Formula: C22H19BrFN3S MolecularWeight: 456.373763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CSCC2=NC3=CC=CC=C3N2)C4=C(C=CC(=C4)Br)N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(CSCC2=NC3=CC=CC=C3N2)C4=C(C=CC(=C4)Br)N)F

InChI

InChI=1S/C22H19BrFN3S/c23-14-9-10-19(25)16(11-14)17(15-5-1-2-6-18(15)24)12-28-13-22-26-20-7-3-4-8-21(20)27-22/h1-11,17H,12-13,25H2,(H,26,27)