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

Systemtic Name: 4-(2,3-dimethylphenoxy)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-butanenitrile Openeye Name: 4-(2,3-dimethylphenoxy)-2-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-butanenitrile CAS Name: 4-(2,3-dimethylphenoxy)-2-[4-(3-nitrophenyl)-2-thiazolyl]-3-oxobutanenitrile IUPAC Name: 4-(2,3-dimethylphenoxy)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile Traditional Name: 4-(2,3-dimethylphenoxy)-3-keto-2-[4-(3-nitrophenyl)thiazol-2-yl]butyronitrile Formula: C21H17N3O4S MolecularWeight: 407.44238

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O4S/c1-13-5-3-8-20(14(13)2)28-11-19(25)17(10-22)21-23-18(12-29-21)15-6-4-7-16(9-15)24(26)27/h3-9,12,17H,11H2,1-2H3