4,4-dimethyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-pentanenitrile

Systemtic Name: 4,4-dimethyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-pentanenitrile Openeye Name: 4,4-dimethyl-3-oxo-2-[4-(p-tolyl)thiazol-2-yl]pentanenitrile CAS Name: 4,4-dimethyl-2-[4-(4-methylphenyl)-2-thiazolyl]-3-oxopentanenitrile IUPAC Name: 4,4-dimethyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxopentanenitrile Traditional Name: 3-keto-4,4-dimethyl-2-[4-(p-tolyl)thiazol-2-yl]valeronitrile Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2OS/c1-11-5-7-12(8-6-11)14-10-21-16(19-14)13(9-18)15(20)17(2,3)4/h5-8,10,13H,1-4H3