2-(4-nitrophenyl)sulfanyl-N-pentan-2-yl-propanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-pentan-2-yl-propanamide Openeye Name: N-(1-methylbutyl)-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: 2-[(4-nitrophenyl)thio]-N-pentan-2-ylpropanamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-pentan-2-ylpropanamide Traditional Name: N-(1-methylbutyl)-2-[(4-nitrophenyl)thio]propionamide Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-4-5-10(2)15-14(17)11(3)20-13-8-6-12(7-9-13)16(18)19/h6-11H,4-5H2,1-3H3,(H,15,17)