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

Systemtic Name: 4-[4-(4-methylphenyl)phenoxy]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-butanenitrile Openeye Name: 2-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-4-[4-(p-tolyl)phenoxy]butanenitrile CAS Name: 4-[4-(4-methylphenyl)phenoxy]-2-[4-(3-nitrophenyl)-2-thiazolyl]-3-oxobutanenitrile IUPAC Name: 4-[4-(4-methylphenyl)phenoxy]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile Traditional Name: 3-keto-2-[4-(3-nitrophenyl)thiazol-2-yl]-4-[4-(p-tolyl)phenoxy]butyronitrile Formula: C26H19N3O4S MolecularWeight: 469.51176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)C(C#N)C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)C(C#N)C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H19N3O4S/c1-17-5-7-18(8-6-17)19-9-11-22(12-10-19)33-15-25(30)23(14-27)26-28-24(16-34-26)20-3-2-4-21(13-20)29(31)32/h2-13,16,23H,15H2,1H3