1,4-diphenyl-2-(2-phenylpyrrolo[2,1-b][1,3]benzothiazol-3-yl)butane-1,4-dione

Systemtic Name: 1,4-diphenyl-2-(2-phenylpyrrolo[2,1-b][1,3]benzothiazol-3-yl)butane-1,4-dione Openeye Name: 1,4-diphenyl-2-(2-phenylpyrrolo[2,1-b][1,3]benzothiazol-3-yl)butane-1,4-dione CAS Name: 1,4-diphenyl-2-(2-phenyl-3-pyrrolo[2,1-b][1,3]benzothiazolyl)butane-1,4-dione IUPAC Name: 1,4-diphenyl-2-(2-phenylpyrrolo[2,1-b][1,3]benzothiazol-3-yl)butane-1,4-dione Traditional Name: 1,4-diphenyl-2-(2-phenylpyrrolo[2,1-b][1,3]benzothiazol-3-yl)butane-1,4-dione Formula: C32H23NO2S MolecularWeight: 485.59552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4SC3=C2C(CC(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4SC3=C2C(CC(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C32H23NO2S/c34-28(23-14-6-2-7-15-23)20-25(31(35)24-16-8-3-9-17-24)30-26(22-12-4-1-5-13-22)21-33-27-18-10-11-19-29(27)36-32(30)33/h1-19,21,25H,20H2