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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[(2S)-2-phenylbutyl]acetamide Formula: C14H19N5OS MolecularWeight: 305.39856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NNC(=N1)N)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)CSC1=NNC(=N1)N)C2=CC=CC=C2

InChI

InChI=1S/C14H19N5OS/c1-2-10(11-6-4-3-5-7-11)8-16-12(20)9-21-14-17-13(15)18-19-14/h3-7,10H,2,8-9H2,1H3,(H,16,20)(H3,15,17,18,19)/t10-/m1/s1