2-cyano-3-(4-oxidanylidenechromen-3-yl)prop-2-enethioamide

Systemtic Name: 2-cyano-3-(4-oxidanylidenechromen-3-yl)prop-2-enethioamide Openeye Name: 2-cyano-3-(4-oxochromen-3-yl)prop-2-enethioamide CAS Name: 2-cyano-3-(4-oxo-1-benzopyran-3-yl)-2-propenethioamide IUPAC Name: 2-cyano-3-(4-oxochromen-3-yl)prop-2-enethioamide Traditional Name: 2-cyano-3-(4-ketochromen-3-yl)thioacrylamide Formula: C13H8N2O2S MolecularWeight: 256.27982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CO2)C=C(C#N)C(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CO2)C=C(C#N)C(=S)N

InChI

InChI=1S/C13H8N2O2S/c14-6-8(13(15)18)5-9-7-17-11-4-2-1-3-10(11)12(9)16/h1-5,7H,(H2,15,18)