N-butyl-2-[1-(3-nitrophenyl)ethylsulfanyl]ethanamide

Systemtic Name: N-butyl-2-[1-(3-nitrophenyl)ethylsulfanyl]ethanamide Openeye Name: N-butyl-2-[1-(3-nitrophenyl)ethylsulfanyl]acetamide CAS Name: N-butyl-2-[1-(3-nitrophenyl)ethylthio]acetamide IUPAC Name: N-butyl-2-[1-(3-nitrophenyl)ethylsulfanyl]acetamide Traditional Name: N-butyl-2-[1-(3-nitrophenyl)ethylthio]acetamide Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC(C)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)CSC(C)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

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