3-nitro-4-[2-oxidanylidene-2-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[[3-(2-pyridin-2-ylethynyl)phenyl]amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[3-[2-(2-pyridyl)ethynyl]anilino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[3-[2-(2-pyridinyl)ethynyl]anilino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[3-[2-(2-pyridyl)ethynyl]anilino]ethyl]thio]-3-nitro-benzamide Formula: C22H16N4O4S MolecularWeight: 432.45184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4S/c23-22(28)16-8-10-20(19(13-16)26(29)30)31-14-21(27)25-18-6-3-4-15(12-18)7-9-17-5-1-2-11-24-17/h1-6,8,10-13H,14H2,(H2,23,28)(H,25,27)