(2-tert-butyl-4-sulfanyl-1H-imidazol-5-yl)-triphenyl-phosphanium perchlorate

Systemtic Name: (2-tert-butyl-4-sulfanyl-1H-imidazol-5-yl)-triphenyl-phosphanium perchlorate Openeye Name: (2-tert-butyl-4-sulfanyl-1H-imidazol-5-yl)-triphenyl-phosphonium perchlorate CAS Name: (2-tert-butyl-4-mercapto-1H-imidazol-5-yl)-triphenylphosphonium perchlorate IUPAC Name: (2-tert-butyl-4-sulfanyl-1H-imidazol-5-yl)-triphenylphosphanium perchlorate Traditional Name: (2-tert-butyl-4-mercapto-1H-imidazol-5-yl)-triphenyl-phosphonium perchlorate Formula: C25H26ClN2O4PS MolecularWeight: 516.976701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C1=NC(=C(N1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H25N2PS.ClHO4/c1-25(2,3)24-26-22(23(29)27-24)28(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21;2-1(3,4)5/h4-18H,1-3H3,(H-,26,27,29);(H,2,3,4,5)