2-[[2-(1,2,3-dioxaziridin-3-yl)-6-fluoranyl-phenyl]methylsulfanyl]pyridine-4-carbothioamide

Systemtic Name: 2-[[2-(1,2,3-dioxaziridin-3-yl)-6-fluoranyl-phenyl]methylsulfanyl]pyridine-4-carbothioamide Openeye Name: 2-[[2-(dioxaziridin-3-yl)-6-fluoro-phenyl]methylsulfanyl]pyridine-4-carbothioamide CAS Name: 2-[[2-(3-dioxaziridinyl)-6-fluorophenyl]methylthio]-4-pyridinecarbothioamide IUPAC Name: 2-[[2-(dioxaziridin-3-yl)-6-fluorophenyl]methylsulfanyl]pyridine-4-carbothioamide Traditional Name: 2-[[2-(dioxaziridin-3-yl)-6-fluoro-benzyl]thio]thioisonicotinamide Formula: C13H10FN3O2S2 MolecularWeight: 323.365803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)CSC2=NC=CC(=C2)C(=S)N)N3OO3

Isomeric SMILES

C1=CC(=C(C(=C1)F)CSC2=NC=CC(=C2)C(=S)N)N3OO3

InChI

InChI=1S/C13H10FN3O2S2/c14-10-2-1-3-11(17-18-19-17)9(10)7-21-12-6-8(13(15)20)4-5-16-12/h1-6H,7H2,(H2,15,20)