2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-benzyl-2-oxo-propyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(1S)-1-benzyl-2-keto-propyl]acetamide Formula: C14H17N5O2S MolecularWeight: 319.38208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C14H17N5O2S/c1-9(20)11(7-10-5-3-2-4-6-10)16-12(21)8-22-14-17-13(15)18-19-14/h2-6,11H,7-8H2,1H3,(H,16,21)(H3,15,17,18,19)/t11-/m0/s1