1,3-diphenyl-2-[3-(phenylcarbonyl)-1H-isothiochromen-1-yl]propane-1,3-dione

Systemtic Name: 1,3-diphenyl-2-[3-(phenylcarbonyl)-1H-isothiochromen-1-yl]propane-1,3-dione Openeye Name: 2-(3-benzoyl-1H-isothiochromen-1-yl)-1,3-diphenyl-propane-1,3-dione CAS Name: 2-(3-benzoyl-1H-2-benzothiopyran-1-yl)-1,3-diphenylpropane-1,3-dione IUPAC Name: 2-(3-benzoyl-1H-isothiochromen-1-yl)-1,3-diphenylpropane-1,3-dione Traditional Name: 2-(3-benzoyl-1H-isothiochromen-1-yl)-1,3-diphenyl-propane-1,3-dione Formula: C31H22O3S MolecularWeight: 474.56958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C(S2)C(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C(S2)C(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H22O3S/c32-28(21-12-4-1-5-13-21)26-20-24-18-10-11-19-25(24)31(35-26)27(29(33)22-14-6-2-7-15-22)30(34)23-16-8-3-9-17-23/h1-20,27,31H