(2S)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide

Systemtic Name: (2S)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide Openeye Name: (2S)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide CAS Name: (2S)-2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]-N-(2-fluorophenyl)propanamide IUPAC Name: (2S)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide Traditional Name: (2S)-2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]-N-(2-fluorophenyl)propionamide Formula: C19H17FN4OS MolecularWeight: 368.427883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)SC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1F)SC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C19H17FN4OS/c1-13(18(25)22-15-8-3-2-7-14(15)20)26-19-23-16-9-4-5-10-17(16)24(19)12-6-11-21/h2-5,7-10,13H,6,12H2,1H3,(H,22,25)/t13-/m0/s1