6-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]pyridine-3-carbothioamide

Systemtic Name: 6-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]pyridine-3-carbothioamide Openeye Name: 6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyridine-3-carbothioamide CAS Name: 6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-3-pyridinecarbothioamide IUPAC Name: 6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyridine-3-carbothioamide Traditional Name: 6-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]thionicotinamide Formula: C13H9F2N3O2S MolecularWeight: 309.291266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC3=NC=C(C=C3)C(=S)N)OC(O2)(F)F

Isomeric SMILES

C1=CC2=C(C=C1NC3=NC=C(C=C3)C(=S)N)OC(O2)(F)F

InChI

InChI=1S/C13H9F2N3O2S/c14-13(15)19-9-3-2-8(5-10(9)20-13)18-11-4-1-7(6-17-11)12(16)21/h1-6H,(H2,16,21)(H,17,18)