(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-propanamide Openeye Name: (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-propanamide CAS Name: (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpropanamide Traditional Name: (2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-N-ethyl-propionamide Formula: C13H20N4OS MolecularWeight: 280.3891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NN=C(N1C2CC2)C3CC3

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NN=C(N1C2CC2)C3CC3

InChI

InChI=1S/C13H20N4OS/c1-3-14-12(18)8(2)19-13-16-15-11(9-4-5-9)17(13)10-6-7-10/h8-10H,3-7H2,1-2H3,(H,14,18)/t8-/m0/s1