N-(2-methylsulfanylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-(2-methylsulfanylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(2-methylsulfanylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxo-pyridine-3-carboxamide CAS Name: N-[2-(methylthio)phenyl]-1-[(4-nitrophenyl)methyl]-6-oxo-3-pyridinecarboxamide IUPAC Name: N-(2-methylsulfanylphenyl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide Traditional Name: 6-keto-N-[2-(methylthio)phenyl]-1-(4-nitrobenzyl)nicotinamide Formula: C20H17N3O4S MolecularWeight: 395.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2=CN(C(=O)C=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2=CN(C(=O)C=C2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O4S/c1-28-18-5-3-2-4-17(18)21-20(25)15-8-11-19(24)22(13-15)12-14-6-9-16(10-7-14)23(26)27/h2-11,13H,12H2,1H3,(H,21,25)