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4-(3,5-Dichloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-1-piperazinecarbothioamide
SpectraBase Compound ID C2W4FE9CCgj
InChI InChI=1S/C17H15Cl2F3N4OS/c18-11-9-14(19)15(23-10-11)25-5-7-26(8-6-25)16(28)24-12-1-3-13(4-2-12)27-17(20,21)22/h1-4,9-10H,5-8H2,(H,24,28)
InChIKey KMWJQSCYRUZYAS-UHFFFAOYSA-N
Mol Weight 451.3 g/mol
Molecular Formula C17H15Cl2F3N4OS
Exact Mass 450.029572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7wzKsLg2Xj
Name 4-(3,5-Dichloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-1-piperazinecarbothioamide
Alternate Name(s) 4-(3,5-dichloro-2-pyridyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide 4-(3,5-dichloropyridin-2-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide 4-[3,5-bis(chloranyl)pyridin-2-yl]-N-[4-(trifluoromethyloxy)phenyl]piperazine-1-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15Cl2F3N4OS
InChI InChI=1S/C17H15Cl2F3N4OS/c18-11-9-14(19)15(23-10-11)25-5-7-26(8-6-25)16(28)24-12-1-3-13(4-2-12)27-17(20,21)22/h1-4,9-10H,5-8H2,(H,24,28)
InChIKey KMWJQSCYRUZYAS-UHFFFAOYSA-N
Molecular Weight 451.295 g/mol
SMILES N(C(N1CCN(c2ncc(cc2Cl)Cl)CC1)=S)c1ccc(cc1)OC(F)(F)F
SPLASH splash10-0uxr-5950000000-0f3939df6c939f420386
Wiley ID 1443720