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

Systemtic Name: 2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-4-(4-propan-2-ylphenoxy)butanenitrile Openeye Name: 4-(4-isopropylphenoxy)-2-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-butanenitrile CAS Name: 2-[4-(3-nitrophenyl)-2-thiazolyl]-3-oxo-4-(4-propan-2-ylphenoxy)butanenitrile IUPAC Name: 2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxo-4-(4-propan-2-ylphenoxy)butanenitrile Traditional Name: 4-(4-isopropylphenoxy)-3-keto-2-[4-(3-nitrophenyl)thiazol-2-yl]butyronitrile Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(=O)C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC(=O)C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c1-14(2)15-6-8-18(9-7-15)29-12-21(26)19(11-23)22-24-20(13-30-22)16-4-3-5-17(10-16)25(27)28/h3-10,13-14,19H,12H2,1-2H3