[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]methyl-triphenylphosphanium bromide Traditional Name: [4-[(E)-2-(1,3-benzothiazol-2-yl)vinyl]benzyl]-triphenyl-phosphonium bromide Formula: C34H27BrNPS MolecularWeight: 592.527641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C=CC3=NC4=CC=CC=C4S3)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)/C=C/C3=NC4=CC=CC=C4S3)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C34H27NPS.BrH/c1-4-12-29(13-5-1)36(30-14-6-2-7-15-30,31-16-8-3-9-17-31)26-28-22-20-27(21-23-28)24-25-34-35-32-18-10-11-19-33(32)37-34;/h1-25H,26H2;1H/q+1;/p-1/b25-24+;