3-bromanyl-2,5-dimethoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

Systemtic Name: 3-bromanyl-2,5-dimethoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Openeye Name: 3-bromo-2,5-dimethoxy-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzamide CAS Name: 3-bromo-2,5-dimethoxy-N-[4-(3-pyridinylmethylthio)phenyl]benzamide IUPAC Name: 3-bromo-2,5-dimethoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide Traditional Name: 3-bromo-2,5-dimethoxy-N-[4-(3-pyridylmethylthio)phenyl]benzamide Formula: C21H19BrN2O3S MolecularWeight: 459.35616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)OC)Br

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)OC)Br

InChI

InChI=1S/C21H19BrN2O3S/c1-26-16-10-18(20(27-2)19(22)11-16)21(25)24-15-5-7-17(8-6-15)28-13-14-4-3-9-23-12-14/h3-12H,13H2,1-2H3,(H,24,25)