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

Systemtic Name: (phenylmethyl) N'-[(E)-(1-fluoranylpyridazin-1-ium-4-yl)methylideneamino]carbamimidothioate Openeye Name: 2-benzyl-3-[(E)-(1-fluoropyridazin-1-ium-4-yl)methyleneamino]isothiourea CAS Name: N'-[(E)-(1-fluoro-4-pyridazin-1-iumyl)methylideneamino]carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl N'-[(E)-(1-fluoropyridazin-1-ium-4-yl)methylideneamino]carbamimidothioate Traditional Name: 2-benzyl-3-[(E)-(1-fluoropyridazin-1-ium-4-yl)methyleneamino]isothiourea Formula: C13H13FN5S+ MolecularWeight: 290.339223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=NN=CC2=CN=[N+](C=C2)F)N

Isomeric SMILES

C1=CC=C(C=C1)CS/C(=N\N=C\C2=CN=[N+](C=C2)F)/N

InChI

InChI=1S/C13H12FN5S/c14-19-7-6-12(9-17-19)8-16-18-13(15)20-10-11-4-2-1-3-5-11/h1-9,15H,10H2/p+1