prop-2-enyl N'-[(E)-(1-fluoranylpyridazin-1-ium-4-yl)methylideneamino]carbamimidothioate

Systemtic Name: prop-2-enyl N'-[(E)-(1-fluoranylpyridazin-1-ium-4-yl)methylideneamino]carbamimidothioate Openeye Name: 2-allyl-3-[(E)-(1-fluoropyridazin-1-ium-4-yl)methyleneamino]isothiourea CAS Name: N'-[(E)-(1-fluoro-4-pyridazin-1-iumyl)methylideneamino]carbamimidothioic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N'-[(E)-(1-fluoropyridazin-1-ium-4-yl)methylideneamino]carbamimidothioate Traditional Name: 2-allyl-3-[(E)-(1-fluoropyridazin-1-ium-4-yl)methyleneamino]isothiourea Formula: C9H11FN5S+ MolecularWeight: 240.280543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10FN5S/c1-2-5-16-9(11)14-12-6-8-3-4-15(10)13-7-8/h2-4,6-7,11H,1,5H2/p+1