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2-{[5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
SpectraBase Compound ID B6fJfoOrEYm
InChI InChI=1S/C22H19N5O4S/c1-31-13-20-24-25-22(26(20)18-12-6-8-15-7-2-3-9-16(15)18)32-14-21(28)23-17-10-4-5-11-19(17)27(29)30/h2-12H,13-14H2,1H3,(H,23,28)
InChIKey FGGIQRNCBSEHSA-UHFFFAOYSA-N
Mol Weight 449.49 g/mol
Molecular Formula C22H19N5O4S
Exact Mass 449.115775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tDMysdnyC
Name 2-{[5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19N5O4S
InChI InChI=1S/C22H19N5O4S/c1-31-13-20-24-25-22(26(20)18-12-6-8-15-7-2-3-9-16(15)18)32-14-21(28)23-17-10-4-5-11-19(17)27(29)30/h2-12H,13-14H2,1H3,(H,23,28)
InChIKey FGGIQRNCBSEHSA-UHFFFAOYSA-N
Molecular Weight 449.485 g/mol
SMILES N(C(CSc1[n](c(COC)nn1)-c1c2ccccc2ccc1)=O)c1ccccc1N(=O)=O
SPLASH splash10-0007-9710000000-b57f7622ac195cb3ffbc
Source of Spectrum IY-2-4970-2
Synonyms 2-[[5-(methoxymethyl)-4-(1-naphthalenyl)-1,2,4-triazol-3-yl]thio]-N-(2-nitrophenyl)acetamide 2-[[5-(methoxymethyl)-4-naphthalen-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide 2-[[5-(methoxymethyl)-4-(1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide 2-[[5-(methoxymethyl)-4-naphthalen-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide
Wiley ID 1657685