N-(4-butylsulfanylphenyl)-N-nitro-ethanamide

Systemtic Name: N-(4-butylsulfanylphenyl)-N-nitro-ethanamide Openeye Name: N-(4-butylsulfanylphenyl)-N-nitro-acetamide CAS Name: N-[4-(butylthio)phenyl]-N-nitroacetamide IUPAC Name: N-(4-butylsulfanylphenyl)-N-nitroacetamide Traditional Name: N-[4-(butylthio)phenyl]-N-nitro-acetamide Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)N(C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=CC=C(C=C1)N(C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O3S/c1-3-4-9-18-12-7-5-11(6-8-12)13(10(2)15)14(16)17/h5-8H,3-4,9H2,1-2H3