[4-(4-cyanophenyl)phenyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [4-(4-cyanophenyl)phenyl] ester Formula: C21H14BrNO2S MolecularWeight: 424.31036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H14BrNO2S/c22-18-7-11-20(12-8-18)26-14-21(24)25-19-9-5-17(6-10-19)16-3-1-15(13-23)2-4-16/h1-12H,14H2