2-(2-bromanyl-4-methyl-phenoxy)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide Openeye Name: 2-(2-bromo-4-methyl-phenoxy)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide CAS Name: 2-(2-bromo-4-methylphenoxy)-N-[2-[(2-cyanophenyl)methylthio]ethyl]propanamide IUPAC Name: 2-(2-bromo-4-methylphenoxy)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]propanamide Traditional Name: 2-(2-bromo-4-methyl-phenoxy)-N-[2-[(2-cyanobenzyl)thio]ethyl]propionamide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)NCCSCC2=CC=CC=C2C#N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C)C(=O)NCCSCC2=CC=CC=C2C#N)Br

InChI

InChI=1S/C20H21BrN2O2S/c1-14-7-8-19(18(21)11-14)25-15(2)20(24)23-9-10-26-13-17-6-4-3-5-16(17)12-22/h3-8,11,15H,9-10,13H2,1-2H3,(H,23,24)