N-[2-(2-cyanoethylsulfanyl)phenyl]-3-oxidanylidene-benzo[f]chromene-2-carboxamide

Systemtic Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-3-oxidanylidene-benzo[f]chromene-2-carboxamide Openeye Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-3-oxo-benzo[f]chromene-2-carboxamide CAS Name: N-[2-(2-cyanoethylthio)phenyl]-3-oxo-2-benzo[f][1]benzopyrancarboxamide IUPAC Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-3-oxobenzo[f]chromene-2-carboxamide Traditional Name: N-[2-(2-cyanoethylthio)phenyl]-3-keto-benzo[f]chromene-2-carboxamide Formula: C23H16N2O3S MolecularWeight: 400.44974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C(=O)NC4=CC=CC=C4SCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C(=O)NC4=CC=CC=C4SCCC#N

InChI

InChI=1S/C23H16N2O3S/c24-12-5-13-29-21-9-4-3-8-19(21)25-22(26)18-14-17-16-7-2-1-6-15(16)10-11-20(17)28-23(18)27/h1-4,6-11,14H,5,13H2,(H,25,26)