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

Systemtic Name: 2-(5-chloranyl-1-methyl-3-nitro-6-oxidanylidene-pyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanenitrile Openeye Name: 2-(5-chloro-1-methyl-3-nitro-6-oxo-pyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile CAS Name: 2-(5-chloro-1-methyl-3-nitro-6-oxo-4-pyridazinyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile IUPAC Name: 2-(5-chloro-1-methyl-3-nitro-6-oxopyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile Traditional Name: 2-(5-chloro-6-keto-1-methyl-3-nitro-pyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile Formula: C15H7ClF3N5O3S MolecularWeight: 429.76099

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=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

CN1C(=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/C15H7ClF3N5O3S/c1-23-14(25)11(16)10(12(22-23)24(26)27)7(5-20)13-21-8-4-6(15(17,18)19)2-3-9(8)28-13/h2-4,7H,1H3