(E)-3-[5-bromanyl-2-(3-methylbutoxy)phenyl]-2-cyano-N-(3-cyanothiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-3-[5-bromanyl-2-(3-methylbutoxy)phenyl]-2-cyano-N-(3-cyanothiophen-2-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-isopentyloxy-phenyl)-2-cyano-N-(3-cyano-2-thienyl)prop-2-enamide CAS Name: (E)-3-[5-bromo-2-(3-methylbutoxy)phenyl]-2-cyano-N-(3-cyano-2-thiophenyl)-2-propenamide IUPAC Name: (E)-3-[5-bromo-2-(3-methylbutoxy)phenyl]-2-cyano-N-(3-cyanothiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-isoamoxy-phenyl)-2-cyano-N-(3-cyano-2-thienyl)acrylamide Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C20H18BrN3O2S/c1-13(2)5-7-26-18-4-3-17(21)10-15(18)9-16(12-23)19(25)24-20-14(11-22)6-8-27-20/h3-4,6,8-10,13H,5,7H2,1-2H3,(H,24,25)/b16-9+