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1-Benzyl-5-chloro-4-(2,4-dimethoxy-3-methyl-phenyl)sulfanyl-triazole
SpectraBase Compound ID IXERMHh0CJe
InChI InChI=1S/C18H18ClN3O2S/c1-12-14(23-2)9-10-15(16(12)24-3)25-18-17(19)22(21-20-18)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKey XPVXDBFYKAVXPC-UHFFFAOYSA-N
Mol Weight 375.87 g/mol
Molecular Formula C18H18ClN3O2S
Exact Mass 375.080826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0u9c1oyiM4
Name 1-Benzyl-5-chloro-4-(2,4-dimethoxy-3-methyl-phenyl)sulfanyl-triazole
CAS Registry Number 96938-86-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClN3O2S
InChI InChI=1S/C18H18ClN3O2S/c1-12-14(23-2)9-10-15(16(12)24-3)25-18-17(19)22(21-20-18)11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
InChIKey XPVXDBFYKAVXPC-UHFFFAOYSA-N
Molecular Weight 375.874 g/mol
SMILES c1(c([n](Cc2ccccc2)nn1)Cl)Sc1c(c(C)c(cc1)OC)OC
SPLASH splash10-00pl-7229000000-bf3f22e40abafe042318
Source of Spectrum Y-22-79-13
Synonyms 1-Benzyl-5-chloro-4-[(2,4-dimethoxy-3-methyl-phenyl)thio]triazole 5-Chloranyl-4-(2,4-dimethoxy-3-methyl-phenyl)sulfanyl-1-(phenylmethyl)-1,2,3-triazole 5-Chloro-4-[(2,4-dimethoxy-3-methylphenyl)thio]-1-(phenylmethyl)triazole
Wiley ID 1357129