2-(1,3-benzoxazol-2-yl)-N-bis[[2-(1,3-benzoxazol-2-yl)phenyl]amino]phosphinothioyl-aniline

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-N-bis[[2-(1,3-benzoxazol-2-yl)phenyl]amino]phosphinothioyl-aniline Openeye Name: 2-(1,3-benzoxazol-2-yl)-N-bis[2-(1,3-benzoxazol-2-yl)anilino]phosphinothioyl-aniline CAS Name: 2-(1,3-benzoxazol-2-yl)-N-bis[2-(1,3-benzoxazol-2-yl)anilino]phosphinothioylaniline IUPAC Name: 2-(1,3-benzoxazol-2-yl)-N-bis[2-(1,3-benzoxazol-2-yl)anilino]phosphinothioylaniline Traditional Name: [2-(1,3-benzoxazol-2-yl)phenyl]-bis[2-(1,3-benzoxazol-2-yl)anilino]thiophosphoryl-amine Formula: C39H27N6O3PS MolecularWeight: 690.708841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)NP(=S)(NC4=CC=CC=C4C5=NC6=CC=CC=C6O5)NC7=CC=CC=C7C8=NC9=CC=CC=C9O8

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)NP(=S)(NC4=CC=CC=C4C5=NC6=CC=CC=C6O5)NC7=CC=CC=C7C8=NC9=CC=CC=C9O8

InChI

InChI=1S/C39H27N6O3PS/c50-49(43-28-16-4-1-13-25(28)37-40-31-19-7-10-22-34(31)46-37,44-29-17-5-2-14-26(29)38-41-32-20-8-11-23-35(32)47-38)45-30-18-6-3-15-27(30)39-42-33-21-9-12-24-36(33)48-39/h1-24H,(H3,43,44,45,50)