2-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]pyridine-4-carbothioamide

Systemtic Name: 2-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]amino]pyridine-4-carbothioamide Openeye Name: 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyridine-4-carbothioamide CAS Name: 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-4-pyridinecarbothioamide IUPAC Name: 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]pyridine-4-carbothioamide Traditional Name: 2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]thioisonicotinamide Formula: C13H9F2N3O2S MolecularWeight: 309.291266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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