(2,4-dimethyl-5-methylsulfanyl-thiophen-3-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2,4-dimethyl-5-methylsulfanyl-thiophen-3-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (2,4-dimethyl-5-methylsulfanyl-3-thienyl)methyl-triphenyl-phosphonium bromide CAS Name: [2,4-dimethyl-5-(methylthio)-3-thiophenyl]methyl-triphenylphosphonium bromide IUPAC Name: (2,4-dimethyl-5-methylsulfanylthiophen-3-yl)methyl-triphenylphosphanium bromide Traditional Name: [2,4-dimethyl-5-(methylthio)-3-thienyl]methyl-triphenyl-phosphonium bromide Formula: C26H26BrPS2 MolecularWeight: 513.492401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)SC.[Br-]

Isomeric SMILES

CC1=C(SC(=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)SC.[Br-]

InChI

InChI=1S/C26H26PS2.BrH/c1-20-25(21(2)29-26(20)28-3)19-27(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24;/h4-18H,19H2,1-3H3;1H/q+1;/p-1