2-azanyl-6-(cyanomethylsulfanyl)-4-(3-fluorophenyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(cyanomethylsulfanyl)-4-(3-fluorophenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(cyanomethylsulfanyl)-4-(3-fluorophenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(cyanomethylthio)-4-(3-fluorophenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(cyanomethylsulfanyl)-4-(3-fluorophenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(cyanomethylthio)-4-(3-fluorophenyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C15H9FN5S+ MolecularWeight: 310.328863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C2=C(C(=[NH+]C(=C2C#N)SCC#N)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)F)C2=C(C(=[NH+]C(=C2C#N)SCC#N)N)C#N

InChI

InChI=1S/C15H8FN5S/c16-10-3-1-2-9(6-10)13-11(7-18)14(20)21-15(12(13)8-19)22-5-4-17/h1-3,6H,5H2,(H2,20,21)/p+1