2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-3-(6-oxidanylidenepyran-3-yl)propanenitrile

Systemtic Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-3-(6-oxidanylidenepyran-3-yl)propanenitrile Openeye Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-3-oxo-3-(6-oxopyran-3-yl)propanenitrile CAS Name: 2-[4-(4-bromophenyl)-2-thiazolyl]-3-oxo-3-(6-oxo-3-pyranyl)propanenitrile IUPAC Name: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-oxo-3-(6-oxopyran-3-yl)propanenitrile Traditional Name: 2-[4-(4-bromophenyl)thiazol-2-yl]-3-keto-3-(6-ketopyran-3-yl)propionitrile Formula: C17H9BrN2O3S MolecularWeight: 401.23396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=N2)C(C#N)C(=O)C3=COC(=O)C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=N2)C(C#N)C(=O)C3=COC(=O)C=C3)Br

InChI

InChI=1S/C17H9BrN2O3S/c18-12-4-1-10(2-5-12)14-9-24-17(20-14)13(7-19)16(22)11-3-6-15(21)23-8-11/h1-6,8-9,13H