1-[[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]pyrimidine-2-thione

Systemtic Name: 1-[[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]pyrimidine-2-thione Openeye Name: 1-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]pyrimidine-2-thione CAS Name: 1-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-2-pyrimidinethione IUPAC Name: 1-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]pyrimidine-2-thione Traditional Name: 1-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]pyrimidine-2-thione Formula: C16H17ClF3N4O2S2+ MolecularWeight: 453.90999

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=CC=NC2=S)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C=CC=NC2=S)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C16H16ClF3N4O2S2/c17-14-3-2-12(10-13(14)16(18,19)20)28(25,26)24-8-6-22(7-9-24)11-23-5-1-4-21-15(23)27/h1-5,10H,6-9,11H2/p+1