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2-[[5-(4-chlorobenzyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethoxyphenyl)ethanone

View entire compound with spectra: 1 MS (GC)

2-[[5-(4-chlorobenzyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethoxyphenyl)ethanone
SpectraBase Compound ID 8kIajJG6CSQ
InChI InChI=1S/C20H20ClN3O3S/c1-24-19(10-13-4-6-14(21)7-5-13)22-23-20(24)28-12-17(25)16-11-15(26-2)8-9-18(16)27-3/h4-9,11H,10,12H2,1-3H3
InChIKey AYFWPNIEJRVJTR-UHFFFAOYSA-N
Mol Weight 417.91 g/mol
Molecular Formula C20H20ClN3O3S
Exact Mass 417.09139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iwbv0vv8sM5
Name 2-[[5-(4-chlorobenzyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethoxyphenyl)ethanone
Alternate Name(s) 2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone 2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethoxyphenyl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20ClN3O3S
InChI InChI=1S/C20H20ClN3O3S/c1-24-19(10-13-4-6-14(21)7-5-13)22-23-20(24)28-12-17(25)16-11-15(26-2)8-9-18(16)27-3/h4-9,11H,10,12H2,1-3H3
InChIKey AYFWPNIEJRVJTR-UHFFFAOYSA-N
Molecular Weight 417.911 g/mol
SMILES C(CSc1nnc([n]1C)Cc1ccc(cc1)Cl)(=O)c1c(ccc(c1)OC)OC
SPLASH splash10-014i-0922000000-5f8897503fa29e936158
Wiley ID 1466154