N-[4-(4-bromanylphenoxy)phenyl]-2-(cyanomethylsulfanyl)benzamide

Systemtic Name: N-[4-(4-bromanylphenoxy)phenyl]-2-(cyanomethylsulfanyl)benzamide Openeye Name: N-[4-(4-bromophenoxy)phenyl]-2-(cyanomethylsulfanyl)benzamide CAS Name: N-[4-(4-bromophenoxy)phenyl]-2-(cyanomethylthio)benzamide IUPAC Name: N-[4-(4-bromophenoxy)phenyl]-2-(cyanomethylsulfanyl)benzamide Traditional Name: N-[4-(4-bromophenoxy)phenyl]-2-(cyanomethylthio)benzamide Formula: C21H15BrN2O2S MolecularWeight: 439.325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Br)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Br)SCC#N

InChI

InChI=1S/C21H15BrN2O2S/c22-15-5-9-17(10-6-15)26-18-11-7-16(8-12-18)24-21(25)19-3-1-2-4-20(19)27-14-13-23/h1-12H,14H2,(H,24,25)