[3,5-dicyano-4-(3-fluorophenyl)-6-sulfanylidene-1H-pyridin-2-yl]azanium ethanoate

Systemtic Name: [3,5-dicyano-4-(3-fluorophenyl)-6-sulfanylidene-1H-pyridin-2-yl]azanium ethanoate Openeye Name: [3,5-dicyano-4-(3-fluorophenyl)-6-thioxo-1H-pyridin-2-yl]ammonium acetate CAS Name: [3,5-dicyano-4-(3-fluorophenyl)-6-sulfanylidene-1H-pyridin-2-yl]ammonium acetate IUPAC Name: [3,5-dicyano-4-(3-fluorophenyl)-6-sulfanylidene-1H-pyridin-2-yl]azanium acetate Traditional Name: [3,5-dicyano-4-(3-fluorophenyl)-6-thioxo-1H-pyridin-2-yl]ammonium acetate Formula: C15H11FN4O2S MolecularWeight: 330.336843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC(=CC(=C1)F)C2=C(C(=S)NC(=C2C#N)[NH3+])C#N

Isomeric SMILES

CC(=O)[O-].C1=CC(=CC(=C1)F)C2=C(C(=S)NC(=C2C#N)[NH3+])C#N

InChI

InChI=1S/C13H7FN4S.C2H4O2/c14-8-3-1-2-7(4-8)11-9(5-15)12(17)18-13(19)10(11)6-16;1-2(3)4/h1-4H,(H3,17,18,19);1H3,(H,3,4)