N4-[2-[bis(fluoranyl)methylsulfanyl]phenyl]pyridin-1-ium-3,4-diamine

Systemtic Name: N4-[2-[bis(fluoranyl)methylsulfanyl]phenyl]pyridin-1-ium-3,4-diamine Openeye Name: N4-[2-(difluoromethylsulfanyl)phenyl]pyridin-1-ium-3,4-diamine CAS Name: N4-[2-(difluoromethylthio)phenyl]pyridin-1-ium-3,4-diamine IUPAC Name: 4-N-[2-(difluoromethylsulfanyl)phenyl]pyridin-1-ium-3,4-diamine Traditional Name: (3-aminopyridin-1-ium-4-yl)-[2-(difluoromethylthio)phenyl]amine Formula: C12H12F2N3S+ MolecularWeight: 268.305586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=C(C=[NH+]C=C2)N)SC(F)F

Isomeric SMILES

C1=CC=C(C(=C1)NC2=C(C=[NH+]C=C2)N)SC(F)F

InChI

InChI=1S/C12H11F2N3S/c13-12(14)18-11-4-2-1-3-10(11)17-9-5-6-16-7-8(9)15/h1-7,12H,15H2,(H,16,17)/p+1