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

Systemtic Name: 4-(3-methylphenoxy)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-butanenitrile Openeye Name: 4-(3-methylphenoxy)-2-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-butanenitrile CAS Name: 4-(3-methylphenoxy)-2-[4-(3-nitrophenyl)-2-thiazolyl]-3-oxobutanenitrile IUPAC Name: 4-(3-methylphenoxy)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile Traditional Name: 3-keto-4-(3-methylphenoxy)-2-[4-(3-nitrophenyl)thiazol-2-yl]butyronitrile Formula: C20H15N3O4S MolecularWeight: 393.4158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O4S/c1-13-4-2-7-16(8-13)27-11-19(24)17(10-21)20-22-18(12-28-20)14-5-3-6-15(9-14)23(25)26/h2-9,12,17H,11H2,1H3