2-(4-nitrophenyl)sulfanyl-N-propyl-propanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-propyl-propanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-propyl-propanamide CAS Name: 2-[(4-nitrophenyl)thio]-N-propylpropanamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-propylpropanamide Traditional Name: 2-[(4-nitrophenyl)thio]-N-propyl-propionamide Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C(C)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O3S/c1-3-8-13-12(15)9(2)18-11-6-4-10(5-7-11)14(16)17/h4-7,9H,3,8H2,1-2H3,(H,13,15)