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

Systemtic Name: 3-(2-bromanyl-3,4,5-trimethoxy-phenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-(2-bromo-3,4,5-trimethoxy-phenyl)-2-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-propanenitrile CAS Name: 3-(2-bromo-3,4,5-trimethoxyphenyl)-2-[4-(3-nitrophenyl)-2-thiazolyl]-3-oxopropanenitrile IUPAC Name: 3-(2-bromo-3,4,5-trimethoxyphenyl)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxopropanenitrile Traditional Name: 3-(2-bromo-3,4,5-trimethoxy-phenyl)-3-keto-2-[4-(3-nitrophenyl)thiazol-2-yl]propionitrile Formula: C21H16BrN3O6S MolecularWeight: 518.33724

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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)[N+](=O)[O-])Br)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3O6S/c1-29-16-8-13(17(22)20(31-3)19(16)30-2)18(26)14(9-23)21-24-15(10-32-21)11-5-4-6-12(7-11)25(27)28/h4-8,10,14H,1-3H3