2-azanyl-6-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-4-methylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-4-methylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(3,4-difluorophenyl)methylsulfanyl]-4-methylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[(3,4-difluorophenyl)methylthio]-4-(methylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(3,4-difluorophenyl)methylsulfanyl]-4-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[(3,4-difluorobenzyl)thio]-4-(methylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C15H11F2N4S2+ MolecularWeight: 349.401446

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=[NH+]C(=C1C#N)SCC2=CC(=C(C=C2)F)F)N)C#N

Isomeric SMILES

CSC1=C(C(=[NH+]C(=C1C#N)SCC2=CC(=C(C=C2)F)F)N)C#N

InChI

InChI=1S/C15H10F2N4S2/c1-22-13-9(5-18)14(20)21-15(10(13)6-19)23-7-8-2-3-11(16)12(17)4-8/h2-4H,7H2,1H3,(H2,20,21)/p+1