4-fluoranyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 4-fluoranyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 4-fluoro-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzothiophene-2-carboxamide CAS Name: 4-fluoro-N-[4-(3-pyridinylmethylthio)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 4-fluoro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-[4-(3-pyridylmethylthio)phenyl]benzothiophene-2-carboxamide Formula: C21H15FN2OS2 MolecularWeight: 394.485003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)F

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)F

InChI

InChI=1S/C21H15FN2OS2/c22-18-4-1-5-19-17(18)11-20(27-19)21(25)24-15-6-8-16(9-7-15)26-13-14-3-2-10-23-12-14/h1-12H,13H2,(H,24,25)