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

Systemtic Name: N-[(2S)-pentan-2-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S)-1-methylbutyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(2S)-pentan-2-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2S)-pentan-2-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S)-1-methylbutyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C15H20N4OS MolecularWeight: 304.4105

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C15H20N4OS/c1-3-7-11(2)16-13(20)10-21-15-17-14(18-19-15)12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3,(H,16,20)(H,17,18,19)/t11-/m0/s1