3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide

Systemtic Name: 3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide Openeye Name: 2-cyano-3-(3,5-dibromo-4-hydroxy-phenyl)-N-thiazol-2-yl-prop-2-enamide CAS Name: 2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)-N-(2-thiazolyl)-2-propenamide IUPAC Name: 2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide Traditional Name: 2-cyano-3-(3,5-dibromo-4-hydroxy-phenyl)-N-thiazol-2-yl-acrylamide Formula: C13H7Br2N3O2S MolecularWeight: 429.08658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=N1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)O)Br)C#N

Isomeric SMILES

C1=CSC(=N1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)O)Br)C#N

InChI

InChI=1S/C13H7Br2N3O2S/c14-9-4-7(5-10(15)11(9)19)3-8(6-16)12(20)18-13-17-1-2-21-13/h1-5,19H,(H,17,18,20)