N-(4-bromanyl-2-fluoranyl-phenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]acetamide Formula: C18H14BrFN4OS MolecularWeight: 433.297363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCC#N)SCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCC#N)SCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H14BrFN4OS/c19-12-6-7-14(13(20)10-12)22-17(25)11-26-18-23-15-4-1-2-5-16(15)24(18)9-3-8-21/h1-2,4-7,10H,3,9,11H2,(H,22,25)