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4-[[3-(2,4-dichlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-1-piperazinecarboxamide
SpectraBase Compound ID 2sti89LlA3Y
InChI InChI=1S/C17H22Cl2N6OS/c1-21(2)16(26)24-8-6-23(7-9-24)11-25-17(27)22(3)15(20-25)13-5-4-12(18)10-14(13)19/h4-5,10H,6-9,11H2,1-3H3
InChIKey HZOYUZCKSJDWQG-UHFFFAOYSA-N
Mol Weight 429.37 g/mol
Molecular Formula C17H22Cl2N6OS
Exact Mass 428.095286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ufOgaBkX70
Name 4-[[3-(2,4-dichlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-1-piperazinecarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22Cl2N6OS
InChI InChI=1S/C17H22Cl2N6OS/c1-21(2)16(26)24-8-6-23(7-9-24)11-25-17(27)22(3)15(20-25)13-5-4-12(18)10-14(13)19/h4-5,10H,6-9,11H2,1-3H3
InChIKey HZOYUZCKSJDWQG-UHFFFAOYSA-N
Molecular Weight 429.370 g/mol
SMILES CN(C(N1CCN(CN2C(N(C)C(=N2)c2c(cc(cc2)Cl)Cl)=S)CC1)=O)C
SPLASH splash10-00di-3900000000-a73af8dce26ef8fa3683
Synonyms 4-[[3-(2,4-dichlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide 4-[[3-(2,4-dichlorophenyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazine-1-carboxamide
Wiley ID 1454933