[2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]methyl-triphenyl-phosphanium iodide

Systemtic Name: [2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]methyl-triphenyl-phosphanium iodide Openeye Name: [2-(2-isobutylthiazol-4-yl)thiazol-4-yl]methyl-triphenyl-phosphonium iodide CAS Name: [2-[2-(2-methylpropyl)-4-thiazolyl]-4-thiazolyl]methyl-triphenylphosphonium iodide IUPAC Name: [2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]methyl-triphenylphosphanium iodide Traditional Name: [2-(2-isobutylthiazol-4-yl)thiazol-4-yl]methyl-triphenyl-phosphonium iodide Formula: C29H28IN2PS2 MolecularWeight: 626.554251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=CS1)C2=NC(=CS2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

Isomeric SMILES

CC(C)CC1=NC(=CS1)C2=NC(=CS2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[I-]

InChI

InChI=1S/C29H28N2PS2.HI/c1-22(2)18-28-31-27(21-33-28)29-30-23(20-34-29)19-32(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26;/h3-17,20-22H,18-19H2,1-2H3;1H/q+1;/p-1