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

Systemtic Name: 2-[3-cyano-4-(methoxymethyl)-6-methyl-pyridin-2-yl]sulfanyl-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridyl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C)COC)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=CC(=N2)C)COC)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-11-4-5-14(7-16(11)22(24)25)21-17(23)10-27-18-15(8-19)13(9-26-3)6-12(2)20-18/h4-7H,9-10H2,1-3H3,(H,21,23)