2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-4-(4-phenylphenoxy)butanenitrile

Systemtic Name: 2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-4-(4-phenylphenoxy)butanenitrile Openeye Name: 2-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-4-(4-phenylphenoxy)butanenitrile CAS Name: 2-[4-(3-nitrophenyl)-2-thiazolyl]-3-oxo-4-(4-phenylphenoxy)butanenitrile IUPAC Name: 2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxo-4-(4-phenylphenoxy)butanenitrile Traditional Name: 3-keto-2-[4-(3-nitrophenyl)thiazol-2-yl]-4-(4-phenylphenoxy)butyronitrile Formula: C25H17N3O4S MolecularWeight: 455.48518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)C(C#N)C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)C(C#N)C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H17N3O4S/c26-14-22(25-27-23(16-33-25)19-7-4-8-20(13-19)28(30)31)24(29)15-32-21-11-9-18(10-12-21)17-5-2-1-3-6-17/h1-13,16,22H,15H2