zinc (1Z)-1-[(4,5-diphenyl-1,3-thiazol-2-yl)methylidene]benzo[f]isoindol-3-olate

Systemtic Name: zinc (1Z)-1-[(4,5-diphenyl-1,3-thiazol-2-yl)methylidene]benzo[f]isoindol-3-olate Openeye Name: zinc (1Z)-1-[(4,5-diphenylthiazol-2-yl)methylene]benzo[f]isoindol-3-olate CAS Name: zinc (1Z)-1-[(4,5-diphenyl-2-thiazolyl)methylidene]-3-benzo[f]isoindololate IUPAC Name: zinc (1Z)-1-[(4,5-diphenyl-1,3-thiazol-2-yl)methylidene]benzo[f]isoindol-3-olate Traditional Name: zinc (1Z)-1-[(4,5-diphenylthiazol-2-yl)methylene]benz[f]isoindol-3-olate Formula: C56H34N4O2S2Zn MolecularWeight: 924.43376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=N2)C=C3C4=CC5=CC=CC=C5C=C4C(=N3)[O-])C6=CC=CC=C6.C1=CC=C(C=C1)C2=C(SC(=N2)C=C3C4=CC5=CC=CC=C5C=C4C(=N3)[O-])C6=CC=CC=C6.[Zn+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=N2)/C=C/3\N=C(C4=CC5=CC=CC=C5C=C34)[O-])C6=CC=CC=C6.C1=CC=C(C=C1)C2=C(SC(=N2)/C=C/3\N=C(C4=CC5=CC=CC=C5C=C34)[O-])C6=CC=CC=C6.[Zn+2]

InChI

InChI=1S/2C28H18N2OS.Zn/c2*31-28-23-16-21-14-8-7-13-20(21)15-22(23)24(29-28)17-25-30-26(18-9-3-1-4-10-18)27(32-25)19-11-5-2-6-12-19;/h2*1-17H,(H,29,31);/q;;+2/p-2/b2*24-17-;