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

Systemtic Name: (2E)-2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxidanylidene-4-pyridin-1-ium-1-yl-butanenitrile Openeye Name: (2E)-2-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-3-oxo-4-pyridin-1-ium-1-yl-butanenitrile CAS Name: (2E)-2-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-3-oxo-4-(1-pyridin-1-iumyl)butanenitrile IUPAC Name: (2E)-2-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxo-4-pyridin-1-ium-1-ylbutanenitrile Traditional Name: (2E)-2-[4-(4-bromophenyl)-4-thiazolin-2-ylidene]-3-keto-4-pyridin-1-ium-1-yl-butyronitrile Formula: C18H13BrN3OS+ MolecularWeight: 399.28432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)C(=C2NC(=CS2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H12BrN3OS/c19-14-6-4-13(5-7-14)16-12-24-18(21-16)15(10-20)17(23)11-22-8-2-1-3-9-22/h1-9,12H,11H2/p+1