2-azanyl-6-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-fluorophenyl)-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C15H10FN4OS+ MolecularWeight: 313.329503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N)F

InChI

InChI=1S/C15H9FN4OS/c16-12-3-1-9(2-4-12)13(21)8-22-15-11(7-18)5-10(6-17)14(19)20-15/h1-5H,8H2,(H2,19,20)/p+1