2-(5-nitro-2-oxidanylidene-pyridin-1-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide

Systemtic Name: 2-(5-nitro-2-oxidanylidene-pyridin-1-yl)-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(5-nitro-2-oxo-1-pyridyl)acetamide CAS Name: 2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(5-nitro-2-oxopyridin-1-yl)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(2-keto-5-nitro-1-pyridyl)acetamide Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c20-15(11-18-10-14(19(22)23)6-7-16(18)21)17-8-9-24-12-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,17,20)