5-(2-hexyl-4-oxidanylidene-azetidin-1-yl)-1-[2,3,4-tris(chloranyl)phenyl]pyrazole-4-carbonitrile

Systemtic Name: 5-(2-hexyl-4-oxidanylidene-azetidin-1-yl)-1-[2,3,4-tris(chloranyl)phenyl]pyrazole-4-carbonitrile Openeye Name: 5-(2-hexyl-4-oxo-azetidin-1-yl)-1-(2,3,4-trichlorophenyl)pyrazole-4-carbonitrile CAS Name: 5-(2-hexyl-4-oxo-1-azetidinyl)-1-(2,3,4-trichlorophenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(2-hexyl-4-oxoazetidin-1-yl)-1-(2,3,4-trichlorophenyl)pyrazole-4-carbonitrile Traditional Name: 5-(2-hexyl-4-keto-azetidin-1-yl)-1-(2,3,4-trichlorophenyl)pyrazole-4-carbonitrile Formula: C19H19Cl3N4O MolecularWeight: 425.73936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(=O)N1C2=C(C=NN2C3=C(C(=C(C=C3)Cl)Cl)Cl)C#N

Isomeric SMILES

CCCCCCC1CC(=O)N1C2=C(C=NN2C3=C(C(=C(C=C3)Cl)Cl)Cl)C#N

InChI

InChI=1S/C19H19Cl3N4O/c1-2-3-4-5-6-13-9-16(27)25(13)19-12(10-23)11-24-26(19)15-8-7-14(20)17(21)18(15)22/h7-8,11,13H,2-6,9H2,1H3