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

Systemtic Name: 3-[3-[2-[(2-bromophenyl)sulfanylmethyl]-5-ethoxy-4-oxidanyl-phenyl]phenyl]-2-cyano-prop-2-enamide Openeye Name: 3-[3-[2-[(2-bromophenyl)sulfanylmethyl]-5-ethoxy-4-hydroxy-phenyl]phenyl]-2-cyano-prop-2-enamide CAS Name: 3-[3-[2-[[(2-bromophenyl)thio]methyl]-5-ethoxy-4-hydroxyphenyl]phenyl]-2-cyano-2-propenamide IUPAC Name: 3-[3-[2-[(2-bromophenyl)sulfanylmethyl]-5-ethoxy-4-hydroxyphenyl]phenyl]-2-cyanoprop-2-enamide Traditional Name: 3-[3-[2-[[(2-bromophenyl)thio]methyl]-5-ethoxy-4-hydroxy-phenyl]phenyl]-2-cyano-acrylamide Formula: C25H21BrN2O3S MolecularWeight: 509.41484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C2=CC(=CC=C2)C=C(C#N)C(=O)N)CSC3=CC=CC=C3Br)O

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C2=CC(=CC=C2)C=C(C#N)C(=O)N)CSC3=CC=CC=C3Br)O

InChI

InChI=1S/C25H21BrN2O3S/c1-2-31-23-13-20(17-7-5-6-16(10-17)11-18(14-27)25(28)30)19(12-22(23)29)15-32-24-9-4-3-8-21(24)26/h3-13,29H,2,15H2,1H3,(H2,28,30)