N-(4-chloranyl-3-nitro-phenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-(4-pyridylmethylthio)nicotinamide Formula: C18H13ClN4O3S MolecularWeight: 400.83882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN4O3S/c19-15-4-3-13(10-16(15)23(25)26)22-17(24)14-2-1-7-21-18(14)27-11-12-5-8-20-9-6-12/h1-10H,11H2,(H,22,24)