2-[(4-diphenylphosphorylphenyl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[(4-diphenylphosphorylphenyl)methyl]-1,3-benzothiazole Openeye Name: 2-[(4-diphenylphosphorylphenyl)methyl]-1,3-benzothiazole CAS Name: 2-[(4-diphenylphosphorylphenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-diphenylphosphorylphenyl)methyl]-1,3-benzothiazole Traditional Name: 2-(4-diphenylphosphorylbenzyl)-1,3-benzothiazole Formula: C26H20NOPS MolecularWeight: 425.481861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H20NOPS/c28-29(21-9-3-1-4-10-21,22-11-5-2-6-12-22)23-17-15-20(16-18-23)19-26-27-24-13-7-8-14-25(24)30-26/h1-18H,19H2