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3-(benzhydrylthio)-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazole
SpectraBase Compound ID 2g91tiS116n
InChI InChI=1S/C34H33N3OS/c1-5-13-26(14-6-1)27-21-23-31(24-22-27)38-25-32-35-36-34(37(32)30-19-11-4-12-20-30)39-33(28-15-7-2-8-16-28)29-17-9-3-10-18-29/h2-4,7-12,15-24,26,33H,1,5-6,13-14,25H2
InChIKey WFGZPUHJZBMNGJ-UHFFFAOYSA-N
Mol Weight 531.7 g/mol
Molecular Formula C34H33N3OS
Exact Mass 531.234434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eMN91AzWpY
Name 3-(benzhydrylthio)-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazole
Alternate Name(s) 3-Benzhydrylsulfanyl-5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-1,2,4-triazole 3-[(4-cyclohexylphenoxy)methyl]-5-(diphenylmethyl)sulfanyl-4-phenyl-1,2,4-triazole 3-[(4-cyclohexylphenoxy)methyl]-5-[(diphenylmethyl)thio]-4-phenyl-1,2,4-triazole
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Formula C34H33N3OS
InChI InChI=1S/C34H33N3OS/c1-5-13-26(14-6-1)27-21-23-31(24-22-27)38-25-32-35-36-34(37(32)30-19-11-4-12-20-30)39-33(28-15-7-2-8-16-28)29-17-9-3-10-18-29/h2-4,7-12,15-24,26,33H,1,5-6,13-14,25H2
InChIKey WFGZPUHJZBMNGJ-UHFFFAOYSA-N
Molecular Weight 531.718 g/mol
SMILES c1([n](c(COc2ccc(cc2)C2CCCCC2)nn1)-c1ccccc1)SC(c1ccccc1)c1ccccc1
SPLASH splash10-014i-0900010000-d3912ffece910ba710a2
Wiley ID 1437120