2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide

Systemtic Name: 2-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide Openeye Name: 2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 2-[(3-cyano-6-methyl-2-pyridinyl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-(3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: 2-[(3-cyano-6-methyl-2-pyridyl)thio]-N-(4-nitrophenyl)propionamide Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3S/c1-10-3-4-12(9-17)16(18-10)24-11(2)15(21)19-13-5-7-14(8-6-13)20(22)23/h3-8,11H,1-2H3,(H,19,21)