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

Systemtic Name: (4-cyanophenyl)methyl 2-(4-bromophenyl)sulfanylethanoate Openeye Name: (4-cyanophenyl)methyl 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid (4-cyanobenzyl) ester Formula: C16H12BrNO2S MolecularWeight: 362.24098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CSC2=CC=C(C=C2)Br)C#N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CSC2=CC=C(C=C2)Br)C#N

InChI

InChI=1S/C16H12BrNO2S/c17-14-5-7-15(8-6-14)21-11-16(19)20-10-13-3-1-12(9-18)2-4-13/h1-8H,10-11H2