(5-chloranyl-1,3-benzothiazol-2-yl)methyl-triphenyl-phosphanium chloride

Systemtic Name: (5-chloranyl-1,3-benzothiazol-2-yl)methyl-triphenyl-phosphanium chloride Openeye Name: (5-chloro-1,3-benzothiazol-2-yl)methyl-triphenyl-phosphonium chloride CAS Name: (5-chloro-1,3-benzothiazol-2-yl)methyl-triphenylphosphonium chloride IUPAC Name: (5-chloro-1,3-benzothiazol-2-yl)methyl-triphenylphosphanium chloride Traditional Name: (5-chloro-1,3-benzothiazol-2-yl)methyl-triphenyl-phosphonium chloride Formula: C26H20Cl2NPS MolecularWeight: 480.388461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=NC3=C(S2)C=CC(=C3)Cl)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=NC3=C(S2)C=CC(=C3)Cl)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C26H20ClNPS.ClH/c27-20-16-17-25-24(18-20)28-26(30-25)19-29(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-18H,19H2;1H/q+1;/p-1