N-[(R)-butylsulfanyl-(3-nitrophenyl)methyl]ethanamide

Systemtic Name: N-[(R)-butylsulfanyl-(3-nitrophenyl)methyl]ethanamide Openeye Name: N-[(R)-butylsulfanyl-(3-nitrophenyl)methyl]acetamide CAS Name: N-[(R)-(butylthio)-(3-nitrophenyl)methyl]acetamide IUPAC Name: N-[(R)-butylsulfanyl-(3-nitrophenyl)methyl]acetamide Traditional Name: N-[(R)-(butylthio)-(3-nitrophenyl)methyl]acetamide Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3S/c1-3-4-8-19-13(14-10(2)16)11-6-5-7-12(9-11)15(17)18/h5-7,9,13H,3-4,8H2,1-2H3,(H,14,16)/t13-/m1/s1