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

Systemtic Name: 2-(5-chloranyl-3-nitro-6-oxidanylidene-1-propyl-pyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanenitrile Openeye Name: 2-(5-chloro-3-nitro-6-oxo-1-propyl-pyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile CAS Name: 2-(5-chloro-3-nitro-6-oxo-1-propyl-4-pyridazinyl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile IUPAC Name: 2-(5-chloro-3-nitro-6-oxo-1-propylpyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile Traditional Name: 2-(5-chloro-6-keto-3-nitro-1-propyl-pyridazin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile Formula: C17H11ClF3N5O3S MolecularWeight: 457.81415

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=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

CCCN1C(=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/C17H11ClF3N5O3S/c1-2-5-25-16(27)13(18)12(14(24-25)26(28)29)9(7-22)15-23-10-6-8(17(19,20)21)3-4-11(10)30-15/h3-4,6,9H,2,5H2,1H3