N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-pyridylmethylthio)nicotinamide Formula: C19H13F2N3O3S MolecularWeight: 401.386626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=NC=C2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C19H13F2N3O3S/c20-19(21)26-15-4-3-13(10-16(15)27-19)24-17(25)14-2-1-7-23-18(14)28-11-12-5-8-22-9-6-12/h1-10H,11H2,(H,24,25)