3-oxidanylidene-3-(4-propan-2-ylphenyl)-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile

Systemtic Name: 3-oxidanylidene-3-(4-propan-2-ylphenyl)-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile Openeye Name: 3-(4-isopropylphenyl)-3-oxo-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile CAS Name: 3-oxo-3-(4-propan-2-ylphenyl)-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile IUPAC Name: 3-oxo-3-(4-propan-2-ylphenyl)-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile Traditional Name: 3-keto-3-p-cumenyl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propionitrile Formula: C20H15F3N2OS MolecularWeight: 388.40611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)C(C#N)C2=NC3=C(S2)C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)C(C#N)C2=NC3=C(S2)C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H15F3N2OS/c1-11(2)12-3-5-13(6-4-12)18(26)15(10-24)19-25-16-8-7-14(20(21,22)23)9-17(16)27-19/h3-9,11,15H,1-2H3