N-(3-methylbutyl)-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-(3-methylbutyl)-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-isopentyl-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(3-methylbutyl)-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-isoamyl-2-[(4-nitrophenyl)thio]acetamide Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O3S/c1-10(2)7-8-14-13(16)9-19-12-5-3-11(4-6-12)15(17)18/h3-6,10H,7-9H2,1-2H3,(H,14,16)