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

Systemtic Name: (2S)-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-phenyl-propanamide Openeye Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-phenyl-propanamide CAS Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-ethyl-N-phenylpropanamide IUPAC Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-ethyl-N-phenylpropanamide Traditional Name: (2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-ethyl-N-phenyl-propionamide Formula: C13H17N5OS MolecularWeight: 291.37198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NNC(=N2)N

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)SC2=NNC(=N2)N

InChI

InChI=1S/C13H17N5OS/c1-3-18(10-7-5-4-6-8-10)11(19)9(2)20-13-15-12(14)16-17-13/h4-9H,3H2,1-2H3,(H3,14,15,16,17)/t9-/m0/s1