4-(2,3-dimethylphenoxy)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile

Systemtic Name: 4-(2,3-dimethylphenoxy)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Openeye Name: 4-(2,3-dimethylphenoxy)-3-oxo-2-(4-phenylthiazol-2-yl)butanenitrile CAS Name: 4-(2,3-dimethylphenoxy)-3-oxo-2-(4-phenyl-2-thiazolyl)butanenitrile IUPAC Name: 4-(2,3-dimethylphenoxy)-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)butanenitrile Traditional Name: 4-(2,3-dimethylphenoxy)-3-keto-2-(4-phenylthiazol-2-yl)butyronitrile Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)C(C#N)C2=NC(=CS2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H18N2O2S/c1-14-7-6-10-20(15(14)2)25-12-19(24)17(11-22)21-23-18(13-26-21)16-8-4-3-5-9-16/h3-10,13,17H,12H2,1-2H3