1-methylsulfanyl-N'-(1-phenyl-4,5-dihydro-1H-pyrazol-1-ium-3-yl)methanediamine iodide

Systemtic Name: 1-methylsulfanyl-N'-(1-phenyl-4,5-dihydro-1H-pyrazol-1-ium-3-yl)methanediamine iodide Openeye Name: 1-methylsulfanyl-N'-(1-phenyl-4,5-dihydro-1H-pyrazol-1-ium-3-yl)methanediamine iodide CAS Name: 1-(methylthio)-N'-(1-phenyl-4,5-dihydro-1H-pyrazol-1-ium-3-yl)methanediamine iodide IUPAC Name: 1-methylsulfanyl-N'-(1-phenyl-4,5-dihydro-1H-pyrazol-1-ium-3-yl)methanediamine iodide Traditional Name: [amino-(methylthio)methyl]-(1-phenyl-2-pyrazolin-1-ium-3-yl)amine iodide Formula: C11H17IN4S MolecularWeight: 364.24895

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Descriptors Computed from Structure

Canonical SMILES:

CSC(N)NC1=N[NH+](CC1)C2=CC=CC=C2.[I-]

Isomeric SMILES

CSC(N)NC1=N[NH+](CC1)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C11H16N4S.HI/c1-16-11(12)13-10-7-8-15(14-10)9-5-3-2-4-6-9;/h2-6,11H,7-8,12H2,1H3,(H,13,14);1H