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

Systemtic Name: butyl N'-[(E)-(1-fluoranylpyridazin-1-ium-4-yl)methylideneamino]carbamimidothioate Openeye Name: 2-butyl-3-[(E)-(1-fluoropyridazin-1-ium-4-yl)methyleneamino]isothiourea CAS Name: N'-[(E)-(1-fluoro-4-pyridazin-1-iumyl)methylideneamino]carbamimidothioic acid butyl ester IUPAC Name: butyl N'-[(E)-(1-fluoropyridazin-1-ium-4-yl)methylideneamino]carbamimidothioate Traditional Name: 2-butyl-3-[(E)-(1-fluoropyridazin-1-ium-4-yl)methyleneamino]isothiourea Formula: C10H15FN5S+ MolecularWeight: 256.323003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14FN5S/c1-2-3-6-17-10(12)15-13-7-9-4-5-16(11)14-8-9/h4-5,7-8,12H,2-3,6H2,1H3/p+1