[2-(4-bromophenyl)-6-[(4-cyanophenyl)methylsulfanyl]-4-oxidanyl-phenyl] methyl carbonate

Systemtic Name: [2-(4-bromophenyl)-6-[(4-cyanophenyl)methylsulfanyl]-4-oxidanyl-phenyl] methyl carbonate Openeye Name: [2-(4-bromophenyl)-6-[(4-cyanophenyl)methylsulfanyl]-4-hydroxy-phenyl] methyl carbonate CAS Name: carbonic acid [2-(4-bromophenyl)-6-[(4-cyanophenyl)methylthio]-4-hydroxyphenyl] methyl ester IUPAC Name: [2-(4-bromophenyl)-6-[(4-cyanophenyl)methylsulfanyl]-4-hydroxyphenyl] methyl carbonate Traditional Name: carbonic acid [2-(4-bromophenyl)-6-[(4-cyanobenzyl)thio]-4-hydroxy-phenyl] methyl ester Formula: C22H16BrNO4S MolecularWeight: 470.33574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=C(C=C(C=C1C2=CC=C(C=C2)Br)O)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)OC1=C(C=C(C=C1C2=CC=C(C=C2)Br)O)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H16BrNO4S/c1-27-22(26)28-21-19(16-6-8-17(23)9-7-16)10-18(25)11-20(21)29-13-15-4-2-14(12-24)3-5-15/h2-11,25H,13H2,1H3