3-oxidanylidene-3-thiophen-2-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile

Systemtic Name: 3-oxidanylidene-3-thiophen-2-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile Openeye Name: 3-oxo-3-(2-thienyl)-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile CAS Name: 3-oxo-3-thiophen-2-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile IUPAC Name: 3-oxo-3-thiophen-2-yl-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile Traditional Name: 3-keto-3-(2-thienyl)-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]propionitrile Formula: C15H7F3N2OS2 MolecularWeight: 352.35409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H7F3N2OS2/c16-15(17,18)8-3-4-10-12(6-8)23-14(20-10)9(7-19)13(21)11-2-1-5-22-11/h1-6,9H