N-[2-(4-methylphenyl)sulfanylethyl]-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide Openeye Name: 2-(5-nitro-2-oxo-1-pyridyl)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide Traditional Name: 2-(2-keto-5-nitro-1-pyridyl)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4S/c1-12-2-5-14(6-3-12)24-9-8-17-15(20)11-18-10-13(19(22)23)4-7-16(18)21/h2-7,10H,8-9,11H2,1H3,(H,17,20)