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8H-Thieno[3,4-b]-1,2,3-triazolo[4,5-e]pyridin-8-one, 4-(3-chlorophenyl)-3,4,5,7-tetrahydro-3-(phenylmethyl)-
SpectraBase Compound ID AN4z1gAAZEU
InChI InChI=1S/C20H15ClN4OS/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/h1-9H,10-12H2
InChIKey KGCFYFQRJNEQGN-UHFFFAOYSA-N
Mol Weight 394.88 g/mol
Molecular Formula C20H15ClN4OS
Exact Mass 394.06551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GaLq85aCUNf
Name 8H-Thieno[3,4-b]-1,2,3-triazolo[4,5-e]pyridin-8-one, 4-(3-chlorophenyl)-3,4,5,7-tetrahydro-3-(phenylmethyl)-
CAS Registry Number 129609-46-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClN4OS
InChI InChI=1S/C20H15ClN4OS/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/h1-9H,10-12H2
InChIKey KGCFYFQRJNEQGN-UHFFFAOYSA-N
Molecular Weight 394.880 g/mol
SMILES c12c(nn[n]2Cc2ccccc2)C(=O)C2=C(N1c1cc(Cl)ccc1)CSC2
SPLASH splash10-0006-9003000000-7260113f401a667dc133
Source of Spectrum Y-27-1142-18
Synonyms 3-Benzyl-4-(3-chlorophenyl)-3,4,5,7-tetrahydro-8H-thieno[3,4-b][1,2,3]triazolo[4,5-e]pyridin-8-one 8-(3-Chlorophenyl)-1,5,6,7-tetrahydro-1-(phenylmethyl)-4H-thieno[3,4-e]-1,2,3-triazolo[4,5-b]pyridin-4-one
Wiley ID 1366551