[(E)-1-(2,2-dimethylpropanoylamino)-2-pyridin-2-ylsulfanyl-ethenyl]-triphenyl-phosphanium perchlorate

Systemtic Name: [(E)-1-(2,2-dimethylpropanoylamino)-2-pyridin-2-ylsulfanyl-ethenyl]-triphenyl-phosphanium perchlorate Openeye Name: [(E)-1-(2,2-dimethylpropanoylamino)-2-(2-pyridylsulfanyl)vinyl]-triphenyl-phosphonium perchlorate CAS Name: [(E)-1-[(2,2-dimethyl-1-oxopropyl)amino]-2-(2-pyridinylthio)ethenyl]-triphenylphosphonium perchlorate IUPAC Name: [(E)-1-(2,2-dimethylpropanoylamino)-2-pyridin-2-ylsulfanylethenyl]-triphenylphosphanium perchlorate Traditional Name: triphenyl-[(E)-1-(pivaloylamino)-2-(2-pyridylthio)vinyl]phosphonium perchlorate Formula: C30H30ClN2O5PS MolecularWeight: 597.061361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=CSC1=CC=CC=N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C(=O)N/C(=C\SC1=CC=CC=N1)/[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C30H29N2OPS.ClHO4/c1-30(2,3)29(33)32-27(23-35-28-21-13-14-22-31-28)34(24-15-7-4-8-16-24,25-17-9-5-10-18-25)26-19-11-6-12-20-26;2-1(3,4)5/h4-23H,1-3H3;(H,2,3,4,5)/b27-23+;