2-(3-bromanylphenoxy)ethyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: 2-(3-bromophenoxy)ethyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid 2-(3-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(=CC=C3)Br

Isomeric SMILES

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

InChI

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