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4H-1,2,4-Triazole, 3-[[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methyl]thio]-5-(4-methoxyphenyl)-4-phenyl-
SpectraBase Compound ID Z4YD9jhQIa
InChI InChI=1S/C27H29N3O2S/c1-18(2)24-16-21(19(3)15-25(24)32-5)17-33-27-29-28-26(20-11-13-23(31-4)14-12-20)30(27)22-9-7-6-8-10-22/h6-16,18H,17H2,1-5H3
InChIKey HDIDUZSDWVYFCF-UHFFFAOYSA-N
Mol Weight 459.61 g/mol
Molecular Formula C27H29N3O2S
Exact Mass 459.198048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YA6xyddsfh
Name 4H-1,2,4-Triazole, 3-[[[4-methoxy-2-methyl-5-(1-methylethyl)phenyl]methyl]thio]-5-(4-methoxyphenyl)-4-phenyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29N3O2S
InChI InChI=1S/C27H29N3O2S/c1-18(2)24-16-21(19(3)15-25(24)32-5)17-33-27-29-28-26(20-11-13-23(31-4)14-12-20)30(27)22-9-7-6-8-10-22/h6-16,18H,17H2,1-5H3
InChIKey HDIDUZSDWVYFCF-UHFFFAOYSA-N
Molecular Weight 459.608 g/mol
SMILES c1(OC)ccc(-c2[n](c(SCc3cc(c(cc3C)OC)C(C)C)nn2)-c2ccccc2)cc1
SPLASH splash10-004i-3900000000-d2c9d6cdf874cbf3f2aa
Source of Spectrum IY-1-4685-1
Synonyms 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylthio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole 3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole 3-[(5-isopropyl-4-methoxy-2-methyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole 3-[(4-methoxy-2-methyl-5-propan-2-yl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole
Wiley ID 1654834