2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanenitrile

Systemtic Name: 2-(5-chloranyl-1-ethyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanenitrile Openeye Name: 2-(5-chloro-1-ethyl-3-nitro-6-oxo-pyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile CAS Name: 2-(5-chloro-1-ethyl-3-nitro-6-oxo-4-pyridazinyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile IUPAC Name: 2-(5-chloro-1-ethyl-3-nitro-6-oxopyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile Traditional Name: 2-(5-chloro-1-ethyl-6-keto-3-nitro-pyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile Formula: C16H9ClF3N5O3S MolecularWeight: 443.78757

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)[N+](=O)[O-])C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C16H9ClF3N5O3S/c1-2-24-15(26)12(17)11(13(23-24)25(27)28)8(6-21)14-22-9-5-7(16(18,19)20)3-4-10(9)29-14/h3-5,8H,2H2,1H3