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

Systemtic Name: 2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-4-(4-propylphenoxy)butanenitrile Openeye Name: 2-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-4-(4-propylphenoxy)butanenitrile CAS Name: 2-[4-(3-nitrophenyl)-2-thiazolyl]-3-oxo-4-(4-propylphenoxy)butanenitrile IUPAC Name: 2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxo-4-(4-propylphenoxy)butanenitrile Traditional Name: 3-keto-2-[4-(3-nitrophenyl)thiazol-2-yl]-4-(4-propylphenoxy)butyronitrile Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC(=O)C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC(=O)C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c1-2-4-15-7-9-18(10-8-15)29-13-21(26)19(12-23)22-24-20(14-30-22)16-5-3-6-17(11-16)25(27)28/h3,5-11,14,19H,2,4,13H2,1H3