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3-Methyl-N-(2,2,2-trichloro-1-([(2-pyridinylamino)carbothioyl]amino)ethyl)benzamide
SpectraBase Compound ID LdIXIY6gySB
InChI InChI=1S/C16H15Cl3N4OS/c1-10-5-4-6-11(9-10)13(24)22-14(16(17,18)19)23-15(25)21-12-7-2-3-8-20-12/h2-9,14H,1H3,(H,22,24)(H2,20,21,23,25)
InChIKey PEDYQIQGPOFOFU-UHFFFAOYSA-N
Mol Weight 417.74 g/mol
Molecular Formula C16H15Cl3N4OS
Exact Mass 416.003215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23yD26CMZfd
Name 3-Methyl-N-(2,2,2-trichloro-1-([(2-pyridinylamino)carbothioyl]amino)ethyl)benzamide
Alternate Name(s) 1-[2,2,2-Trichloro-1-(m-toluamido)ethyl]-3-(2-pyridyl)-2-thiourea 3-Methyl-N-[2,2,2-trichloro-1-(2-pyridylcarbamothioylamino)ethyl]benzamide 3-Methyl-N-[2,2,2-trichloro-1-(2-pyridylthiocarbamoylamino)ethyl]benzamide 3-Methyl-N-[2,2,2-trichloro-1-(pyridin-2-ylcarbamothioylamino)ethyl]benzamide 3-Methyl-N-[2,2,2-trichloro-1-[[(2-pyridinylamino)-sulfanylidenemethyl]amino]ethyl]benzamide 3-Methyl-N-[2,2,2-tris(chloranyl)-1-(pyridin-2-ylcarbamothioylamino)ethyl]benzamide
CAS Registry Number 301814-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15Cl3N4OS
InChI InChI=1S/C16H15Cl3N4OS/c1-10-5-4-6-11(9-10)13(24)22-14(16(17,18)19)23-15(25)21-12-7-2-3-8-20-12/h2-9,14H,1H3,(H,22,24)(H2,20,21,23,25)
InChIKey PEDYQIQGPOFOFU-UHFFFAOYSA-N
Molecular Weight 417.742 g/mol
SMILES N(c1ccccn1)C(NC(C(Cl)(Cl)Cl)NC(=O)c1cc(ccc1)C)=S
SPLASH splash10-014l-9510000000-c01960c9bcced47e2286
Wiley ID 1469028