1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-[5,5-bis(oxidanylidene)-1,5,3-oxathiazepan-3-yl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile

Systemtic Name: 1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-[5,5-bis(oxidanylidene)-1,5,3-oxathiazepan-3-yl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile Openeye Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(5,5-dioxo-1,5,3-oxathiazepan-3-yl)-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile CAS Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(5,5-dioxo-1,5,3-oxathiazepan-3-yl)-4-(trifluoromethylsulfinyl)-3-pyrazolecarbonitrile IUPAC Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(5,5-dioxo-1,5,3-oxathiazepan-3-yl)-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile Traditional Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(5,5-diketo-1,5,3-oxathiazepan-3-yl)-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile Formula: C16H10Cl2F6N4O4S2 MolecularWeight: 571.301419

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CN(CO1)C2=C(C(=NN2C3=C(C=C(C=C3Cl)C(F)(F)F)Cl)C#N)S(=O)C(F)(F)F

Isomeric SMILES

C1CS(=O)(=O)CN(CO1)C2=C(C(=NN2C3=C(C=C(C=C3Cl)C(F)(F)F)Cl)C#N)S(=O)C(F)(F)F

InChI

InChI=1S/C16H10Cl2F6N4O4S2/c17-9-3-8(15(19,20)21)4-10(18)12(9)28-14(27-6-32-1-2-34(30,31)7-27)13(11(5-25)26-28)33(29)16(22,23)24/h3-4H,1-2,6-7H2