S-phenyl 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-2-oxidanylidene-pyridine-3-carbothioate

Systemtic Name: S-phenyl 1-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methyl]-2-oxidanylidene-pyridine-3-carbothioate Openeye Name: S-phenyl 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-pyridine-3-carbothioate CAS Name: 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxo-3-pyridinecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-oxopyridine-3-carbothioate Traditional Name: 1-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-2-keto-pyridine-3-carbothioic acid S-phenyl ester Formula: C20H13F2NO4S MolecularWeight: 401.383326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=O)C2=CC=CN(C2=O)CC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SC(=O)C2=CC=CN(C2=O)CC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C20H13F2NO4S/c21-20(22)26-16-9-8-13(11-17(16)27-20)12-23-10-4-7-15(18(23)24)19(25)28-14-5-2-1-3-6-14/h1-11H,12H2