[6-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]-triphenyl-phosphanium perchlorate

Systemtic Name: [6-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]-triphenyl-phosphanium perchlorate Openeye Name: [6-(4-chlorophenyl)sulfanyl-2-phenyl-pyrimidin-4-yl]-triphenyl-phosphonium perchlorate CAS Name: [6-[(4-chlorophenyl)thio]-2-phenyl-4-pyrimidinyl]-triphenylphosphonium perchlorate IUPAC Name: [6-(4-chlorophenyl)sulfanyl-2-phenylpyrimidin-4-yl]-triphenylphosphanium perchlorate Traditional Name: [6-[(4-chlorophenyl)thio]-2-phenyl-pyrimidin-4-yl]-triphenyl-phosphonium perchlorate Formula: C34H25Cl2N2O4PS MolecularWeight: 659.518061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC(=N2)SC3=CC=C(C=C3)Cl)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CC(=N2)SC3=CC=C(C=C3)Cl)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C34H25ClN2PS.ClHO4/c35-27-21-23-31(24-22-27)39-33-25-32(36-34(37-33)26-13-5-1-6-14-26)38(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30;2-1(3,4)5/h1-25H;(H,2,3,4,5)/q+1;/p-1