3-(4-nitrophenyl)-3-oxidanylidene-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile

Systemtic Name: 3-(4-nitrophenyl)-3-oxidanylidene-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile Openeye Name: 3-(4-nitrophenyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile CAS Name: 3-(4-nitrophenyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile IUPAC Name: 3-(4-nitrophenyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile Traditional Name: 3-keto-3-(4-nitrophenyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propionitrile Formula: C17H8F3N3O3S MolecularWeight: 391.32393

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H8F3N3O3S/c18-17(19,20)10-3-6-14-13(7-10)22-16(27-14)12(8-21)15(24)9-1-4-11(5-2-9)23(25)26/h1-7,12H