1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-(phenylmethylsulfanyl)-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile

Systemtic Name: 1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-(phenylmethylsulfanyl)-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile Openeye Name: 5-benzylsulfanyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile CAS Name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(phenylmethylthio)-4-(trifluoromethylsulfonyl)-3-pyrazolecarbonitrile IUPAC Name: 5-benzylsulfanyl-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile Traditional Name: 5-(benzylthio)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-triflyl-pyrazole-3-carbonitrile Formula: C19H9Cl2F6N3O2S2 MolecularWeight: 560.320079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=NN2C3=C(C=C(C=C3Cl)C(F)(F)F)Cl)C#N)S(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=NN2C3=C(C=C(C=C3Cl)C(F)(F)F)Cl)C#N)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H9Cl2F6N3O2S2/c20-12-6-11(18(22,23)24)7-13(21)15(12)30-17(33-9-10-4-2-1-3-5-10)16(14(8-28)29-30)34(31,32)19(25,26)27/h1-7H,9H2