(E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-cyano-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-cyano-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[4-(4-bromophenyl)-5-ethyl-thiazol-2-yl]-2-cyano-3-phenyl-prop-2-enamide CAS Name: (E)-N-[4-(4-bromophenyl)-5-ethyl-2-thiazolyl]-2-cyano-3-phenyl-2-propenamide IUPAC Name: (E)-N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-cyano-3-phenylprop-2-enamide Traditional Name: (E)-N-[4-(4-bromophenyl)-5-ethyl-thiazol-2-yl]-2-cyano-3-phenyl-acrylamide Formula: C21H16BrN3OS MolecularWeight: 438.34024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)NC(=O)C(=CC2=CC=CC=C2)C#N)C3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=C(N=C(S1)NC(=O)/C(=C/C2=CC=CC=C2)/C#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H16BrN3OS/c1-2-18-19(15-8-10-17(22)11-9-15)24-21(27-18)25-20(26)16(13-23)12-14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,24,25,26)/b16-12+