(2E)-2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxidanylidene-4-(1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)butanenitrile

Systemtic Name: (2E)-2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxidanylidene-4-(1-oxidanyl-3-oxidanylidene-1H-isoindol-2-yl)butanenitrile Openeye Name: (2E)-2-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-4-(1-hydroxy-3-oxo-isoindolin-2-yl)-3-oxo-butanenitrile CAS Name: (2E)-2-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-3-oxobutanenitrile IUPAC Name: (2E)-2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-4-(1-hydroxy-3-oxo-1H-isoindol-2-yl)-3-oxobutanenitrile Traditional Name: (2E)-2-[4-(4-bromophenyl)-4-thiazolin-2-ylidene]-4-(1-hydroxy-3-keto-isoindolin-2-yl)-3-keto-butyronitrile Formula: C21H14BrN3O3S MolecularWeight: 468.32316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(C2=O)CC(=O)C(=C3NC(=CS3)C4=CC=C(C=C4)Br)C#N)O

Isomeric SMILES

C1=CC=C2C(=C1)C(N(C2=O)CC(=O)/C(=C/3\NC(=CS3)C4=CC=C(C=C4)Br)/C#N)O

InChI

InChI=1S/C21H14BrN3O3S/c22-13-7-5-12(6-8-13)17-11-29-19(24-17)16(9-23)18(26)10-25-20(27)14-3-1-2-4-15(14)21(25)28/h1-8,11,20,24,27H,10H2/b19-16+