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5-(4-Chlorophenyl)-2-(ethylthio)-7-hydroxy-7-methyl-N-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SpectraBase Compound ID 7PuDCL44Rrr
InChI InChI=1S/C21H22ClN5O2S/c1-3-30-20-25-19-24-17(13-9-11-14(22)12-10-13)16(21(2,29)27(19)26-20)18(28)23-15-7-5-4-6-8-15/h4-12,16-17,29H,3H2,1-2H3,(H,23,28)(H,24,25,26)
InChIKey JIEHSTPWGPPOQE-UHFFFAOYSA-N
Mol Weight 443.95 g/mol
Molecular Formula C21H22ClN5O2S
Exact Mass 443.118274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ZyEPlCCZoH
Name 5-(4-Chlorophenyl)-2-(ethylthio)-7-hydroxy-7-methyl-N-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClN5O2S
InChI InChI=1S/C21H22ClN5O2S/c1-3-30-20-25-19-24-17(13-9-11-14(22)12-10-13)16(21(2,29)27(19)26-20)18(28)23-15-7-5-4-6-8-15/h4-12,16-17,29H,3H2,1-2H3,(H,23,28)(H,24,25,26)
InChIKey JIEHSTPWGPPOQE-UHFFFAOYSA-N
Molecular Weight 443.953 g/mol
SMILES N1C(C(C([n]2c1nc(n2)SCC)(O)C)C(Nc1ccccc1)=O)c1ccc(cc1)Cl
SPLASH splash10-014i-6890000000-949195778573e190613d
Source of Spectrum F-67-9394-4b
Wiley ID 1691234