1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-[bis(2-cyanoethoxymethyl)amino]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile

Systemtic Name: 1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-[bis(2-cyanoethoxymethyl)amino]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile Openeye Name: 5-[bis(2-cyanoethoxymethyl)amino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile CAS Name: 5-[bis(2-cyanoethoxymethyl)amino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)-3-pyrazolecarbonitrile IUPAC Name: 5-[bis(2-cyanoethoxymethyl)amino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile Traditional Name: 5-[bis(2-cyanoethoxymethyl)amino]-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile Formula: C20H14Cl2F6N6O3S MolecularWeight: 603.324979

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N(COCCC#N)COCCC#N)Cl)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N(COCCC#N)COCCC#N)Cl)C(F)(F)F

InChI

InChI=1S/C20H14Cl2F6N6O3S/c21-13-7-12(19(23,24)25)8-14(22)16(13)34-18(17(15(9-31)32-34)38(35)20(26,27)28)33(10-36-5-1-3-29)11-37-6-2-4-30/h7-8H,1-2,5-6,10-11H2