4-(4-chloranyl-3,5-dimethyl-phenoxy)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-butanenitrile Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-3-oxo-2-[4-(p-tolyl)thiazol-2-yl]butanenitrile CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-2-[4-(4-methylphenyl)-2-thiazolyl]-3-oxobutanenitrile IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxobutanenitrile Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-3-keto-2-[4-(p-tolyl)thiazol-2-yl]butyronitrile Formula: C22H19ClN2O2S MolecularWeight: 410.91646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)COC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)COC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C22H19ClN2O2S/c1-13-4-6-16(7-5-13)19-12-28-22(25-19)18(10-24)20(26)11-27-17-8-14(2)21(23)15(3)9-17/h4-9,12,18H,11H2,1-3H3