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

Systemtic Name: (2E)-2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxidanylidene-4-pyrrolidin-1-yl-butanenitrile Openeye Name: (2E)-2-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-3-oxo-4-pyrrolidin-1-yl-butanenitrile CAS Name: (2E)-2-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-3-oxo-4-(1-pyrrolidinyl)butanenitrile IUPAC Name: (2E)-2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxo-4-pyrrolidin-1-ylbutanenitrile Traditional Name: (2E)-2-[4-(4-bromophenyl)-4-thiazolin-2-ylidene]-3-keto-4-pyrrolidino-butyronitrile Formula: C17H16BrN3OS MolecularWeight: 390.29744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC(=O)C(=C2NC(=CS2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1CCN(C1)CC(=O)/C(=C/2\NC(=CS2)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C17H16BrN3OS/c18-13-5-3-12(4-6-13)15-11-23-17(20-15)14(9-19)16(22)10-21-7-1-2-8-21/h3-6,11,20H,1-2,7-8,10H2/b17-14+