methyl N'-[(E)-(1-fluoranylpyridazin-1-ium-4-yl)methylideneamino]carbamimidothioate

Systemtic Name: methyl N'-[(E)-(1-fluoranylpyridazin-1-ium-4-yl)methylideneamino]carbamimidothioate Openeye Name: 3-[(E)-(1-fluoropyridazin-1-ium-4-yl)methyleneamino]-2-methyl-isothiourea CAS Name: N'-[(E)-(1-fluoro-4-pyridazin-1-iumyl)methylideneamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(E)-(1-fluoropyridazin-1-ium-4-yl)methylideneamino]carbamimidothioate Traditional Name: 3-[(E)-(1-fluoropyridazin-1-ium-4-yl)methyleneamino]-2-methyl-isothiourea Formula: C7H9FN5S+ MolecularWeight: 214.243263

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NN=CC1=CN=[N+](C=C1)F)N

Isomeric SMILES

CS/C(=N\N=C\C1=CN=[N+](C=C1)F)/N

InChI

InChI=1S/C7H8FN5S/c1-14-7(9)12-10-4-6-2-3-13(8)11-5-6/h2-5,9H,1H3/p+1