4-(5-methyl-2-propan-2-yl-phenoxy)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(5-methyl-2-propan-2-yl-phenoxy)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-butanenitrile Openeye Name: 4-(2-isopropyl-5-methyl-phenoxy)-2-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-butanenitrile CAS Name: 4-(5-methyl-2-propan-2-ylphenoxy)-2-[4-(3-nitrophenyl)-2-thiazolyl]-3-oxobutanenitrile IUPAC Name: 4-(5-methyl-2-propan-2-ylphenoxy)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile Traditional Name: 4-(2-isopropyl-5-methyl-phenoxy)-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:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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