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Thiazole, 4-[[[5-(4-chlorophenyl)-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-
SpectraBase Compound ID JV0NlaZ5PAm
InChI InChI=1S/C20H17ClN4S2/c1-14-22-18(12-26-14)13-27-20-24-23-19(16-7-9-17(21)10-8-16)25(20)11-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3
InChIKey CUAYHAHRFRDQQF-UHFFFAOYSA-N
Mol Weight 412.96 g/mol
Molecular Formula C20H17ClN4S2
Exact Mass 412.058317 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2C41YR83szr
Name Thiazole, 4-[[[5-(4-chlorophenyl)-4-(phenylmethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17ClN4S2
InChI InChI=1S/C20H17ClN4S2/c1-14-22-18(12-26-14)13-27-20-24-23-19(16-7-9-17(21)10-8-16)25(20)11-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3
InChIKey CUAYHAHRFRDQQF-UHFFFAOYSA-N
Molecular Weight 412.957 g/mol
SMILES c1ccc(C[n]2c(nnc2SCc2nc(C)sc2)-c2ccc(cc2)Cl)cc1
SPLASH splash10-006x-9400000000-d4145f5b2b8f80dd486b
Source of Spectrum IY-1-4672-6
Synonyms 4-[[[5-(4-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-2-methylthiazole 4-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-1,3-thiazole 4-[[4-benzyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-thiazole 4-[[5-(4-chlorophenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-1,3-thiazole
Wiley ID 1654709