5-chloranyl-6-methylsulfanyl-1-phenyl-pyridazin-1-ium-4-amine; methyl sulfate

Systemtic Name: 5-chloranyl-6-methylsulfanyl-1-phenyl-pyridazin-1-ium-4-amine; methyl sulfate Openeye Name: 5-chloro-6-methylsulfanyl-1-phenyl-pyridazin-1-ium-4-amine; methyl sulfate CAS Name: 5-chloro-6-(methylthio)-1-phenyl-4-pyridazin-1-iumamine; methyl sulfate IUPAC Name: 5-chloro-6-methylsulfanyl-1-phenylpyridazin-1-ium-4-amine; methyl sulfate Traditional Name: [5-chloro-6-(methylthio)-1-phenyl-pyridazin-1-ium-4-yl]amine; methyl sulfate Formula: C12H14ClN3O4S2 MolecularWeight: 363.84026

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].CSC1=C(C(=CN=[N+]1C2=CC=CC=C2)N)Cl

Isomeric SMILES

COS(=O)(=O)[O-].CSC1=C(C(=CN=[N+]1C2=CC=CC=C2)N)Cl

InChI

InChI=1S/C11H10ClN3S.CH4O4S/c1-16-11-10(12)9(13)7-14-15(11)8-5-3-2-4-6-8;1-5-6(2,3)4/h2-7,13H,1H3;1H3,(H,2,3,4)