5-cyano-2-methyl-6-[(2-nitrophenyl)methylsulfanyl]-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 5-cyano-2-methyl-6-[(2-nitrophenyl)methylsulfanyl]-N-phenyl-pyridine-3-carboxamide Openeye Name: 5-cyano-2-methyl-6-[(2-nitrophenyl)methylsulfanyl]-N-phenyl-pyridine-3-carboxamide CAS Name: 5-cyano-2-methyl-6-[(2-nitrophenyl)methylthio]-N-phenyl-3-pyridinecarboxamide IUPAC Name: 5-cyano-2-methyl-6-[(2-nitrophenyl)methylsulfanyl]-N-phenylpyridine-3-carboxamide Traditional Name: 5-cyano-2-methyl-6-[(2-nitrobenzyl)thio]-N-phenyl-nicotinamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC=CC=C2[N+](=O)[O-])C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC=CC=C2[N+](=O)[O-])C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H16N4O3S/c1-14-18(20(26)24-17-8-3-2-4-9-17)11-16(12-22)21(23-14)29-13-15-7-5-6-10-19(15)25(27)28/h2-11H,13H2,1H3,(H,24,26)