N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methyl-5-nitro-pyridine-3-carboxamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methyl-5-nitro-pyridine-3-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methyl-5-nitro-pyridine-3-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-methyl-5-nitro-3-pyridinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-methyl-5-nitropyridine-3-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-methyl-5-nitro-nicotinamide Formula: C17H16N4O3S MolecularWeight: 356.39894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)NCCSCC2=CC=CC=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)NCCSCC2=CC=CC=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-12-16(8-15(10-20-12)21(23)24)17(22)19-6-7-25-11-14-5-3-2-4-13(14)9-18/h2-5,8,10H,6-7,11H2,1H3,(H,19,22)