[[(3Z)-5-isoquinolin-4-yl-3-[5-(methylsulfonylamino)benzimidazol-2-ylidene]-2H-indazol-1-yl]-methyl-phosphanyl]boron

Systemtic Name: [[(3Z)-5-isoquinolin-4-yl-3-[5-(methylsulfonylamino)benzimidazol-2-ylidene]-2H-indazol-1-yl]-methyl-phosphanyl]boron Openeye Name: [[(3Z)-5-(4-isoquinolyl)-3-[5-(methanesulfonamido)benzimidazol-2-ylidene]-2H-indazol-1-yl]-methyl-phosphanyl]boron CAS Name: [[(3Z)-5-(4-isoquinolinyl)-3-[5-(methanesulfonamido)-2-benzimidazolylidene]-2H-indazol-1-yl]-methylphosphino]boron IUPAC Name: [[(3Z)-5-isoquinolin-4-yl-3-[5-(methanesulfonamido)benzimidazol-2-ylidene]-2H-indazol-1-yl]-methylphosphanyl]boron Traditional Name: [[(3Z)-5-(4-isoquinolyl)-3-[5-(methanesulfonamido)benzimidazol-2-ylidene]indazolin-1-yl]-methyl-phosphino]boron Formula: C25H20BN6O2PS MolecularWeight: 510.315061

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Descriptors Computed from Structure

Canonical SMILES:

[B]P(C)N1C2=C(C=C(C=C2)C3=CN=CC4=CC=CC=C43)C(=C5N=C6C=CC(=CC6=N5)NS(=O)(=O)C)N1

Isomeric SMILES

[B]P(C)N1C2=C(C=C(C=C2)C3=CN=CC4=CC=CC=C43)/C(=C/5\N=C6C=CC(=CC6=N5)NS(=O)(=O)C)/N1

InChI

InChI=1S/C25H20BN6O2PS/c1-35(26)32-23-10-7-15(20-14-27-13-16-5-3-4-6-18(16)20)11-19(23)24(30-32)25-28-21-9-8-17(12-22(21)29-25)31-36(2,33)34/h3-14,30-31H,1-2H3/b25-24-