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1-[1-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-5-(2-thienyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
SpectraBase Compound ID FO4YaC490lg
InChI InChI=1S/C22H20ClN3OS/c1-14-6-9-19(13-15(14)2)25-21(16(3)27)24-26(18-10-7-17(23)8-11-18)22(25)20-5-4-12-28-20/h4-13,22H,1-3H3
InChIKey JDZWSSLLNPIJBE-UHFFFAOYSA-N
Mol Weight 409.94 g/mol
Molecular Formula C22H20ClN3OS
Exact Mass 409.101561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wrsJYr2o0i
Name 1-[1-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-5-(2-thienyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]ethanone
Alternate Name(s) 1-[2-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-3-(2-thienyl)-3H-1,2,4-triazol-5-yl]ethanone 1-[2-(4-chlorophenyl)-4-(3,4-dimethylphenyl)-3-thiophen-2-yl-3H-1,2,4-triazol-5-yl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20ClN3OS
InChI InChI=1S/C22H20ClN3OS/c1-14-6-9-19(13-15(14)2)25-21(16(3)27)24-26(18-10-7-17(23)8-11-18)22(25)20-5-4-12-28-20/h4-13,22H,1-3H3
InChIKey JDZWSSLLNPIJBE-UHFFFAOYSA-N
Molecular Weight 409.935 g/mol
SMILES Cc1ccc(N2C(=NN(C2c2sccc2)c2ccc(cc2)Cl)C(=O)C)cc1C
SPLASH splash10-05fr-6692300000-69d12fc3a38858550dfb
Wiley ID 1437380