6-methylsulfanyl-4-phenyl-2-(trichloromethyl)-1,2-dihydro-1,3,5-triazin-1-ium perchlorate

Systemtic Name: 6-methylsulfanyl-4-phenyl-2-(trichloromethyl)-1,2-dihydro-1,3,5-triazin-1-ium perchlorate Openeye Name: 6-methylsulfanyl-4-phenyl-2-(trichloromethyl)-1,2-dihydro-1,3,5-triazin-1-ium perchlorate CAS Name: 6-(methylthio)-4-phenyl-2-(trichloromethyl)-1,2-dihydro-1,3,5-triazin-1-ium perchlorate IUPAC Name: 6-methylsulfanyl-4-phenyl-2-(trichloromethyl)-1,2-dihydro-1,3,5-triazin-1-ium perchlorate Traditional Name: 6-(methylthio)-4-phenyl-2-(trichloromethyl)-1,2-dihydro-s-triazin-1-ium perchlorate Formula: C11H11Cl4N3O4S MolecularWeight: 423.09974

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC([NH2+]1)C(Cl)(Cl)Cl)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CSC1=NC(=NC([NH2+]1)C(Cl)(Cl)Cl)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C11H10Cl3N3S.ClHO4/c1-18-10-16-8(7-5-3-2-4-6-7)15-9(17-10)11(12,13)14;2-1(3,4)5/h2-6,9H,1H3,(H,15,16,17);(H,2,3,4,5)