2-[(4-nitrophenyl)methylsulfanyl]-N-pentyl-ethanamide

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-pentyl-ethanamide Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-pentyl-acetamide CAS Name: 2-[(4-nitrophenyl)methylthio]-N-pentylacetamide IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-pentylacetamide Traditional Name: N-amyl-2-[(4-nitrobenzyl)thio]acetamide Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)CSCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC(=O)CSCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O3S/c1-2-3-4-9-15-14(17)11-20-10-12-5-7-13(8-6-12)16(18)19/h5-8H,2-4,9-11H2,1H3,(H,15,17)