(E)-3-[3-[(4-bromophenyl)sulfanylmethyl]-5-ethoxy-4-oxidanyl-phenyl]-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[3-[(4-bromophenyl)sulfanylmethyl]-5-ethoxy-4-oxidanyl-phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[3-[(4-bromophenyl)sulfanylmethyl]-5-ethoxy-4-hydroxy-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[3-[[(4-bromophenyl)thio]methyl]-5-ethoxy-4-hydroxyphenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[3-[(4-bromophenyl)sulfanylmethyl]-5-ethoxy-4-hydroxyphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[3-[[(4-bromophenyl)thio]methyl]-5-ethoxy-4-hydroxy-phenyl]-2-cyano-acrylamide Formula: C19H17BrN2O3S MolecularWeight: 433.31888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)CSC2=CC=C(C=C2)Br)C=C(C#N)C(=O)N

Isomeric SMILES

CCOC1=CC(=CC(=C1O)CSC2=CC=C(C=C2)Br)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C19H17BrN2O3S/c1-2-25-17-9-12(7-13(10-21)19(22)24)8-14(18(17)23)11-26-16-5-3-15(20)4-6-16/h3-9,23H,2,11H2,1H3,(H2,22,24)/b13-7+