(2S)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)propanamide

Systemtic Name: (2S)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)propanamide Openeye Name: (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)propanamide CAS Name: (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylthio)propanamide IUPAC Name: (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)propanamide Traditional Name: (2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylthio)propionamide Formula: C17H18ClF3N4OS MolecularWeight: 418.86423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)SC2=NN=C3N2CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F)SC2=NN=C3N2CCCCC3

InChI

InChI=1S/C17H18ClF3N4OS/c1-10(27-16-24-23-14-5-3-2-4-8-25(14)16)15(26)22-11-6-7-13(18)12(9-11)17(19,20)21/h6-7,9-10H,2-5,8H2,1H3,(H,22,26)/t10-/m0/s1