3-(2-bromanyl-3,4,5-trimethoxy-phenyl)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile

Systemtic Name: 3-(2-bromanyl-3,4,5-trimethoxy-phenyl)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile Openeye Name: 3-(2-bromo-3,4,5-trimethoxy-phenyl)-3-oxo-2-(4-phenylthiazol-2-yl)propanenitrile CAS Name: 3-(2-bromo-3,4,5-trimethoxyphenyl)-3-oxo-2-(4-phenyl-2-thiazolyl)propanenitrile IUPAC Name: 3-(2-bromo-3,4,5-trimethoxyphenyl)-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile Traditional Name: 3-(2-bromo-3,4,5-trimethoxy-phenyl)-3-keto-2-(4-phenylthiazol-2-yl)propionitrile Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3)Br)OC)OC

InChI

InChI=1S/C21H17BrN2O4S/c1-26-16-9-13(17(22)20(28-3)19(16)27-2)18(25)14(10-23)21-24-15(11-29-21)12-7-5-4-6-8-12/h4-9,11,14H,1-3H3