2-(4-bromanylphenoxy)ethyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: 2-(4-bromophenoxy)ethyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid 2-(4-bromophenoxy)ethyl ester Formula: C22H16BrNO3S MolecularWeight: 454.33634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCCOC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H16BrNO3S/c23-17-9-11-18(12-10-17)26-13-14-27-22(25)19-6-2-4-8-21(19)28-20-7-3-1-5-16(20)15-24/h1-12H,13-14H2