(2E)-4-chloranyl-2-[4-(3-nitrophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-4-chloranyl-2-[4-(3-nitrophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-4-chloro-2-[4-(3-nitrophenyl)-3H-thiazol-2-ylidene]-3-oxo-butanenitrile CAS Name: (2E)-4-chloro-2-[4-(3-nitrophenyl)-3H-thiazol-2-ylidene]-3-oxobutanenitrile IUPAC Name: (2E)-4-chloro-2-[4-(3-nitrophenyl)-3H-1,3-thiazol-2-ylidene]-3-oxobutanenitrile Traditional Name: (2E)-4-chloro-3-keto-2-[4-(3-nitrophenyl)-4-thiazolin-2-ylidene]butyronitrile Formula: C13H8ClN3O3S MolecularWeight: 321.73892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=C(C#N)C(=O)CCl)N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CS/C(=C(\C#N)/C(=O)CCl)/N2

InChI

InChI=1S/C13H8ClN3O3S/c14-5-12(18)10(6-15)13-16-11(7-21-13)8-2-1-3-9(4-8)17(19)20/h1-4,7,16H,5H2/b13-10+