[5-(4-chlorophenyl)sulfanyl-3-methyl-1-phenyl-pyrazol-4-yl]-triphenyl-phosphanium perchlorate

Systemtic Name: [5-(4-chlorophenyl)sulfanyl-3-methyl-1-phenyl-pyrazol-4-yl]-triphenyl-phosphanium perchlorate Openeye Name: [5-(4-chlorophenyl)sulfanyl-3-methyl-1-phenyl-pyrazol-4-yl]-triphenyl-phosphonium perchlorate CAS Name: [5-[(4-chlorophenyl)thio]-3-methyl-1-phenyl-4-pyrazolyl]-triphenylphosphonium perchlorate IUPAC Name: [5-(4-chlorophenyl)sulfanyl-3-methyl-1-phenylpyrazol-4-yl]-triphenylphosphanium perchlorate Traditional Name: [5-[(4-chlorophenyl)thio]-3-methyl-1-phenyl-pyrazol-4-yl]-triphenyl-phosphonium perchlorate Formula: C34H27Cl2N2O4PS MolecularWeight: 661.533941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC5=CC=C(C=C5)Cl)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=NN(C(=C1[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)SC5=CC=C(C=C5)Cl)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C34H27ClN2PS.ClHO4/c1-26-33(34(39-32-24-22-27(35)23-25-32)37(36-26)28-14-6-2-7-15-28)38(29-16-8-3-9-17-29,30-18-10-4-11-19-30)31-20-12-5-13-21-31;2-1(3,4)5/h2-25H,1H3;(H,2,3,4,5)/q+1;/p-1