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Acetamide, N-(3-chloro-4-methylphenyl)-2-[[5-(1-naphthalenylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID JVuuCXG59bw
InChI InChI=1S/C28H23ClN4OS/c1-19-14-15-22(17-25(19)29)30-27(34)18-35-28-32-31-26(33(28)23-11-3-2-4-12-23)16-21-10-7-9-20-8-5-6-13-24(20)21/h2-15,17H,16,18H2,1H3,(H,30,34)
InChIKey YSZYFKGPKWQKMI-UHFFFAOYSA-N
Mol Weight 499.03 g/mol
Molecular Formula C28H23ClN4OS
Exact Mass 498.12811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yIMwiPTYO
Name Acetamide, N-(3-chloro-4-methylphenyl)-2-[[5-(1-naphthalenylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H23ClN4OS
InChI InChI=1S/C28H23ClN4OS/c1-19-14-15-22(17-25(19)29)30-27(34)18-35-28-32-31-26(33(28)23-11-3-2-4-12-23)16-21-10-7-9-20-8-5-6-13-24(20)21/h2-15,17H,16,18H2,1H3,(H,30,34)
InChIKey YSZYFKGPKWQKMI-UHFFFAOYSA-N
Molecular Weight 499.032 g/mol
SMILES N(C(CSc1[n](c(Cc2c3ccccc3ccc2)nn1)-c1ccccc1)=O)c1ccc(c(c1)Cl)C
SPLASH splash10-00kf-5922000000-6f7eeff92c251b2137c8
Source of Spectrum IY-1-4495-6
Synonyms N-(3-chloro-4-methylphenyl)-2-[[5-(1-naphthalenylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide N-(3-chloro-4-methylphenyl)-2-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(3-chloro-4-methyl-phenyl)-2-[[5-(1-naphthylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-(3-chloranyl-4-methyl-phenyl)-2-[[5-(naphthalen-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide
Wiley ID 1652939