(4-bromophenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (4-bromophenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (4-bromophenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (4-bromobenzyl) ester Formula: C21H14BrNO2S MolecularWeight: 424.31036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)Br

InChI

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