(E)-3-[5-bromanyl-2-(3-methylbutoxy)phenyl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-[5-bromanyl-2-(3-methylbutoxy)phenyl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-isopentyloxy-phenyl)-2-cyano-N-thiazol-2-yl-prop-2-enamide CAS Name: (E)-3-[5-bromo-2-(3-methylbutoxy)phenyl]-2-cyano-N-(2-thiazolyl)-2-propenamide IUPAC Name: (E)-3-[5-bromo-2-(3-methylbutoxy)phenyl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-isoamoxy-phenyl)-2-cyano-N-thiazol-2-yl-acrylamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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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=NC=CS2

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O2S/c1-12(2)5-7-24-16-4-3-15(19)10-13(16)9-14(11-20)17(23)22-18-21-6-8-25-18/h3-4,6,8-10,12H,5,7H2,1-2H3,(H,21,22,23)/b14-9+