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

Systemtic Name: 4-(3-methyl-4-propan-2-yl-phenoxy)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-butanenitrile Openeye Name: 4-(4-isopropyl-3-methyl-phenoxy)-2-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-butanenitrile CAS Name: 4-(3-methyl-4-propan-2-ylphenoxy)-2-[4-(3-nitrophenyl)-2-thiazolyl]-3-oxobutanenitrile IUPAC Name: 4-(3-methyl-4-propan-2-ylphenoxy)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile Traditional Name: 4-(4-isopropyl-3-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=C(C=CC(=C1)OCC(=O)C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

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

InChI

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