N-[2-(cyanomethylsulfanyl)phenyl]-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(5-nitro-2-oxo-1-pyridyl)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(5-nitro-2-oxopyridin-1-yl)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(2-keto-5-nitro-1-pyridyl)acetamide Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])SCC#N

InChI

InChI=1S/C15H12N4O4S/c16-7-8-24-13-4-2-1-3-12(13)17-14(20)10-18-9-11(19(22)23)5-6-15(18)21/h1-6,9H,8,10H2,(H,17,20)