(E)-2-cyano-3-[3-methoxy-4-oxidanyl-5-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-methoxy-4-oxidanyl-5-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-hydroxy-3-methoxy-5-(2-pyridylsulfanylmethyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[4-hydroxy-3-methoxy-5-[(2-pyridinylthio)methyl]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-hydroxy-3-methoxy-5-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-hydroxy-3-methoxy-5-[(2-pyridylthio)methyl]phenyl]acrylamide Formula: C17H15N3O3S MolecularWeight: 341.3843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CSC2=CC=CC=N2)C=C(C#N)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1O)CSC2=CC=CC=N2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C17H15N3O3S/c1-23-14-8-11(6-12(9-18)17(19)22)7-13(16(14)21)10-24-15-4-2-3-5-20-15/h2-8,21H,10H2,1H3,(H2,19,22)/b12-6+