[2-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,3-thiazol-4-yl]-triphenyl-phosphanium perchlorate

Systemtic Name: [2-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,3-thiazol-4-yl]-triphenyl-phosphanium perchlorate Openeye Name: [5-benzylsulfanyl-2-(p-tolyl)thiazol-4-yl]-triphenyl-phosphonium perchlorate CAS Name: [2-(4-methylphenyl)-5-(phenylmethylthio)-4-thiazolyl]-triphenylphosphonium perchlorate IUPAC Name: [5-benzylsulfanyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]-triphenylphosphanium perchlorate Traditional Name: [5-(benzylthio)-2-(p-tolyl)thiazol-4-yl]-triphenyl-phosphonium perchlorate Formula: C35H29ClNO4PS2 MolecularWeight: 658.165821

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(S2)SCC3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(S2)SCC3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C35H29NPS2.ClHO4/c1-27-22-24-29(25-23-27)34-36-33(35(39-34)38-26-28-14-6-2-7-15-28)37(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32;2-1(3,4)5/h2-25H,26H2,1H3;(H,2,3,4,5)/q+1;/p-1