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

Systemtic Name: 6-methylsulfanyl-1-phenyl-pyridazin-1-ium-4-amine; methyl sulfate Openeye Name: 6-methylsulfanyl-1-phenyl-pyridazin-1-ium-4-amine; methyl sulfate CAS Name: methyl sulfate; 6-(methylthio)-1-phenyl-4-pyridazin-1-iumamine IUPAC Name: 6-methylsulfanyl-1-phenylpyridazin-1-ium-4-amine; methyl sulfate Traditional Name: methyl sulfate; [6-(methylthio)-1-phenyl-pyridazin-1-ium-4-yl]amine Formula: C12H15N3O4S2 MolecularWeight: 329.3952

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].CSC1=[N+](N=CC(=C1)N)C2=CC=CC=C2

Isomeric SMILES

COS(=O)(=O)[O-].CSC1=[N+](N=CC(=C1)N)C2=CC=CC=C2

InChI

InChI=1S/C11H11N3S.CH4O4S/c1-15-11-7-9(12)8-13-14(11)10-5-3-2-4-6-10;1-5-6(2,3)4/h2-8,12H,1H3;1H3,(H,2,3,4)