1-phenyl-6-[2,3,3-tris(chloranyl)prop-2-enylsulfanyl]pyridazin-1-ium-4-amine chloride

Systemtic Name: 1-phenyl-6-[2,3,3-tris(chloranyl)prop-2-enylsulfanyl]pyridazin-1-ium-4-amine chloride Openeye Name: 1-phenyl-6-(2,3,3-trichloroallylsulfanyl)pyridazin-1-ium-4-amine chloride CAS Name: 1-phenyl-6-(2,3,3-trichloroprop-2-enylthio)-4-pyridazin-1-iumamine chloride IUPAC Name: 1-phenyl-6-(2,3,3-trichloroprop-2-enylsulfanyl)pyridazin-1-ium-4-amine chloride Traditional Name: [1-phenyl-6-(2,3,3-trichloroallylthio)pyridazin-1-ium-4-yl]amine chloride Formula: C13H11Cl4N3S MolecularWeight: 383.12354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(C=C(C=N2)N)SCC(=C(Cl)Cl)Cl.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(C=C(C=N2)N)SCC(=C(Cl)Cl)Cl.[Cl-]

InChI

InChI=1S/C13H10Cl3N3S.ClH/c14-11(13(15)16)8-20-12-6-9(17)7-18-19(12)10-4-2-1-3-5-10;/h1-7,17H,8H2;1H