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8-(3-Chlorophenyl)-1,8-dihydro-1-(phenylmethyl)-4H-thieno[3,4-e]1,2,3-triazolo[4,5-b]pyridin-4-one
SpectraBase Compound ID DKh2aT64TIR
InChI InChI=1S/C20H13ClN4OS/c21-14-7-4-8-15(9-14)25-17-12-27-11-16(17)19(26)18-20(25)24(23-22-18)10-13-5-2-1-3-6-13/h1-9,11-12H,10H2
InChIKey YKPRKKWTNOZUFO-UHFFFAOYSA-N
Mol Weight 392.86 g/mol
Molecular Formula C20H13ClN4OS
Exact Mass 392.04986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgVwFZiPrrM
Name 8H-Thieno[3,4-b]-1,2,3-triazolo[4,5-e]pyridin-8-one, 4-(3-chlorophenyl)-3,4-dihydro-3-(phenylmethyl)-
CAS Registry Number 129609-47-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13ClN4OS
InChI InChI=1S/C20H13ClN4OS/c21-14-7-4-8-15(9-14)25-17-12-27-11-16(17)19(26)18-20(25)24(23-22-18)10-13-5-2-1-3-6-13/h1-9,11-12H,10H2
InChIKey YKPRKKWTNOZUFO-UHFFFAOYSA-N
Molecular Weight 392.864 g/mol
SMILES c12c(nn[n]2Cc2ccccc2)C(=O)c2c(N1c1cc(Cl)ccc1)csc2
SPLASH splash10-01ox-6009000000-d67b7770561e7c3ce843
Source of Spectrum Y-27-1142-19
Synonyms 3-Benzyl-4-(3-chlorophenyl)-3,4-dihydro-8H-thieno[3,4-b][1,2,3]triazolo[4,5-e]pyridin-8-one 8-(3-Chlorophenyl)-1,8-dihydro-1-(phenylmethyl)-4H-thieno[3,4-e]-1,2,3-triazolo[4,5-b]pyridin-4-one
Wiley ID 1365696