2-(4-nitrophenyl)sulfanyl-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: N-[(1S)-1-methylbutyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: N-[(1S)-1-methylbutyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O3S/c1-3-4-10(2)14-13(16)9-19-12-7-5-11(6-8-12)15(17)18/h5-8,10H,3-4,9H2,1-2H3,(H,14,16)/t10-/m0/s1