[1-[(4-methylphenyl)carbonylamino]-2-pyridin-2-ylsulfanyl-ethenyl]-triphenyl-phosphanium perchlorate

Systemtic Name: [1-[(4-methylphenyl)carbonylamino]-2-pyridin-2-ylsulfanyl-ethenyl]-triphenyl-phosphanium perchlorate Openeye Name: [1-[(4-methylbenzoyl)amino]-2-(2-pyridylsulfanyl)vinyl]-triphenyl-phosphonium perchlorate CAS Name: [1-[[(4-methylphenyl)-oxomethyl]amino]-2-(2-pyridinylthio)ethenyl]-triphenylphosphonium perchlorate IUPAC Name: [1-[(4-methylbenzoyl)amino]-2-pyridin-2-ylsulfanylethenyl]-triphenylphosphanium perchlorate Traditional Name: triphenyl-[1-(p-toluoylamino)-2-(2-pyridylthio)vinyl]phosphonium perchlorate Formula: C33H28ClN2O5PS MolecularWeight: 631.077581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=CSC2=CC=CC=N2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=CSC2=CC=CC=N2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C33H27N2OPS.ClHO4/c1-26-20-22-27(23-21-26)33(36)35-31(25-38-32-19-11-12-24-34-32)37(28-13-5-2-6-14-28,29-15-7-3-8-16-29)30-17-9-4-10-18-30;2-1(3,4)5/h2-25H,1H3;(H,2,3,4,5)