3-[3-bromanyl-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-2-cyano-prop-2-enethioamide

Systemtic Name: 3-[3-bromanyl-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-2-cyano-prop-2-enethioamide Openeye Name: 3-[3-bromo-5-methoxy-4-(2-pyridylmethoxy)phenyl]-2-cyano-prop-2-enethioamide CAS Name: 3-[3-bromo-5-methoxy-4-(2-pyridinylmethoxy)phenyl]-2-cyano-2-propenethioamide IUPAC Name: 3-[3-bromo-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-2-cyanoprop-2-enethioamide Traditional Name: 3-[3-bromo-5-methoxy-4-(2-pyridylmethoxy)phenyl]-2-cyano-thioacrylamide Formula: C17H14BrN3O2S MolecularWeight: 404.28096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=S)N)Br)OCC2=CC=CC=N2

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=S)N)Br)OCC2=CC=CC=N2

InChI

InChI=1S/C17H14BrN3O2S/c1-22-15-8-11(6-12(9-19)17(20)24)7-14(18)16(15)23-10-13-4-2-3-5-21-13/h2-8H,10H2,1H3,(H2,20,24)