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

Systemtic Name: 4-(4-tert-butylphenoxy)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-butanenitrile Openeye Name: 4-(4-tert-butylphenoxy)-2-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-butanenitrile CAS Name: 4-(4-tert-butylphenoxy)-2-[4-(3-nitrophenyl)-2-thiazolyl]-3-oxobutanenitrile IUPAC Name: 4-(4-tert-butylphenoxy)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile Traditional Name: 4-(4-tert-butylphenoxy)-3-keto-2-[4-(3-nitrophenyl)thiazol-2-yl]butyronitrile Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H21N3O4S/c1-23(2,3)16-7-9-18(10-8-16)30-13-21(27)19(12-24)22-25-20(14-31-22)15-5-4-6-17(11-15)26(28)29/h4-11,14,19H,13H2,1-3H3