(E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-N-(thiophen-2-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-N-(thiophen-2-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-N-(2-thienylmethyl)prop-2-enamide CAS Name: (E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-N-(thiophen-2-ylmethyl)-2-propenamide IUPAC Name: (E)-3-[4-[(4-bromophenyl)methoxy]phenyl]-2-cyano-N-(thiophen-2-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[4-(4-bromobenzyl)oxyphenyl]-2-cyano-N-(2-thenyl)acrylamide Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CNC(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1=CSC(=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C22H17BrN2O2S/c23-19-7-3-17(4-8-19)15-27-20-9-5-16(6-10-20)12-18(13-24)22(26)25-14-21-2-1-11-28-21/h1-12H,14-15H2,(H,25,26)/b18-12+