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4H-1,2,4-triazole, 3-[[(2-chlorophenyl)methyl]thio]-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-
SpectraBase Compound ID 2WmsbXxnJdW
InChI InChI=1S/C28H28ClN3OS/c29-26-14-8-7-11-23(26)20-34-28-31-30-27(32(28)24-12-5-2-6-13-24)19-33-25-17-15-22(16-18-25)21-9-3-1-4-10-21/h2,5-8,11-18,21H,1,3-4,9-10,19-20H2
InChIKey LRIGFVMVOUISOG-UHFFFAOYSA-N
Mol Weight 490.07 g/mol
Molecular Formula C28H28ClN3OS
Exact Mass 489.164161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KfOWigatEVh
Name 3-[(2-chlorobenzyl)thio]-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazole
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Formula C28H28ClN3OS
InChI InChI=1S/C28H28ClN3OS/c29-26-14-8-7-11-23(26)20-34-28-31-30-27(32(28)24-12-5-2-6-13-24)19-33-25-17-15-22(16-18-25)21-9-3-1-4-10-21/h2,5-8,11-18,21H,1,3-4,9-10,19-20H2
InChIKey LRIGFVMVOUISOG-UHFFFAOYSA-N
Molecular Weight 490.065 g/mol
SMILES c1ccc(-[n]2c(nnc2COc2ccc(cc2)C2CCCCC2)SCc2c(Cl)cccc2)cc1
SPLASH splash10-004i-4923000000-cedfccd899187f14eed5
Synonyms 3-[(2-chlorophenyl)methylsulfanyl]-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazole 3-[(2-chlorophenyl)methylthio]-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazole
Wiley ID 1461042