2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-N-(4-nitro-2-oxidanyl-phenyl)ethanamide

Systemtic Name: 2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-N-(4-nitro-2-oxidanyl-phenyl)ethanamide Openeye Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]-N-(2-hydroxy-4-nitro-phenyl)acetamide CAS Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]-N-(2-hydroxy-4-nitrophenyl)acetamide IUPAC Name: 2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl-N-(2-hydroxy-4-nitrophenyl)acetamide Traditional Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]thio]-N-(2-hydroxy-4-nitro-phenyl)acetamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H16N4O5S/c1-10-5-11(8-26-2)13(7-18)17(19-10)27-9-16(23)20-14-4-3-12(21(24)25)6-15(14)22/h3-6,22H,8-9H2,1-2H3,(H,20,23)