4-(3-methyl-4-nitro-phenoxy)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(3-methyl-4-nitro-phenoxy)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile Openeye Name: 4-(3-methyl-4-nitro-phenoxy)-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile CAS Name: 4-(3-methyl-4-nitrophenoxy)-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile IUPAC Name: 4-(3-methyl-4-nitrophenoxy)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile Traditional Name: 3-keto-4-(3-methyl-4-nitro-phenoxy)-2-(4-methylthiazol-2-yl)butyronitrile Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c1-9-5-11(3-4-13(9)18(20)21)22-7-14(19)12(6-16)15-17-10(2)8-23-15/h3-5,8,12H,7H2,1-2H3