N-(2,4-dinitrophenoxy)-2-ethylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2,4-dinitrophenoxy)-2-ethylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(2,4-dinitrophenoxy)-2-ethylsulfanyl-pyridine-3-carboxamide CAS Name: N-(2,4-dinitrophenoxy)-2-(ethylthio)-3-pyridinecarboxamide IUPAC Name: N-(2,4-dinitrophenoxy)-2-ethylsulfanylpyridine-3-carboxamide Traditional Name: N-(2,4-dinitrophenoxy)-2-(ethylthio)nicotinamide Formula: C14H12N4O6S MolecularWeight: 364.33328

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O6S/c1-2-25-14-10(4-3-7-15-14)13(19)16-24-12-6-5-9(17(20)21)8-11(12)18(22)23/h3-8H,2H2,1H3,(H,16,19)