1,2-dimethyl-4-methylsulfanyl-3,5-diphenyl-pyrazol-2-ium perchlorate

Systemtic Name: 1,2-dimethyl-4-methylsulfanyl-3,5-diphenyl-pyrazol-2-ium perchlorate Openeye Name: 1,2-dimethyl-4-methylsulfanyl-3,5-diphenyl-pyrazol-2-ium perchlorate CAS Name: 1,2-dimethyl-4-(methylthio)-3,5-diphenylpyrazol-2-ium perchlorate IUPAC Name: 1,2-dimethyl-4-methylsulfanyl-3,5-diphenylpyrazol-2-ium perchlorate Traditional Name: 1,2-dimethyl-4-(methylthio)-3,5-diphenyl-pyrazol-2-ium perchlorate Formula: C18H19ClN2O4S MolecularWeight: 394.87246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=[N+]1C)C2=CC=CC=C2)SC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN1C(=C(C(=[N+]1C)C2=CC=CC=C2)SC)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H19N2S.ClHO4/c1-19-16(14-10-6-4-7-11-14)18(21-3)17(20(19)2)15-12-8-5-9-13-15;2-1(3,4)5/h4-13H,1-3H3;(H,2,3,4,5)/q+1;/p-1