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2-Chloranyl-N-[[3-[2-[6-[[(2-chlorophenyl)amino]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]aniline

View entire compound with spectra: 1 MS (GC)

2-Chloranyl-N-[[3-[2-[6-[[(2-chlorophenyl)amino]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]aniline
SpectraBase Compound ID 75dVBf7Ijdi
InChI InChI=1S/C22H18Cl2N10S2/c23-13-5-1-3-7-15(13)25-11-19-31-33-17(27-29-21(33)35-19)9-10-18-28-30-22-34(18)32-20(36-22)12-26-16-8-4-2-6-14(16)24/h1-8,25-26H,9-12H2
InChIKey NGHDDGUNCCAQHC-UHFFFAOYSA-N
Mol Weight 557.48 g/mol
Molecular Formula C22H18Cl2N10S2
Exact Mass 556.053438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRUPSoXcR89
Name 2-Chloranyl-N-[[3-[2-[6-[[(2-chlorophenyl)amino]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]aniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18Cl2N10S2
InChI InChI=1S/C22H18Cl2N10S2/c23-13-5-1-3-7-15(13)25-11-19-31-33-17(27-29-21(33)35-19)9-10-18-28-30-22-34(18)32-20(36-22)12-26-16-8-4-2-6-14(16)24/h1-8,25-26H,9-12H2
InChIKey NGHDDGUNCCAQHC-UHFFFAOYSA-N
Molecular Weight 557.482 g/mol
SMILES N(CC=1Sc2[n](c(CCc3[n]4N=C(CNc5c(Cl)cccc5)Sc4nn3)nn2)N1)c1c(Cl)cccc1
SPLASH splash10-004i-2900000000-892d824d2ba02ab549d2
Source of Spectrum Y1-42-2012-7
Synonyms 2-Chloro-N-[[3-[2-[6-[(2-chloroanilino)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]aniline [3-[2-[6-[(2-chloroanilino)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl-(2-chlorophenyl)amine
Wiley ID 1565301