[2-(2,4-dichlorophenyl)-5-ethylsulfanyl-1,3-oxazol-4-yl]-triphenyl-phosphanium bromide

Systemtic Name: [2-(2,4-dichlorophenyl)-5-ethylsulfanyl-1,3-oxazol-4-yl]-triphenyl-phosphanium bromide Openeye Name: [2-(2,4-dichlorophenyl)-5-ethylsulfanyl-oxazol-4-yl]-triphenyl-phosphonium bromide CAS Name: [2-(2,4-dichlorophenyl)-5-(ethylthio)-4-oxazolyl]-triphenylphosphonium bromide IUPAC Name: [2-(2,4-dichlorophenyl)-5-ethylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium bromide Traditional Name: [2-(2,4-dichlorophenyl)-5-(ethylthio)oxazol-4-yl]-triphenyl-phosphonium bromide Formula: C29H23BrCl2NOPS MolecularWeight: 615.347781

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N=C(O1)C2=C(C=C(C=C2)Cl)Cl)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

CCSC1=C(N=C(O1)C2=C(C=C(C=C2)Cl)Cl)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H23Cl2NOPS.BrH/c1-2-35-29-28(32-27(33-29)25-19-18-21(30)20-26(25)31)34(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;/h3-20H,2H2,1H3;1H/q+1;/p-1