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2-[(4-Methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone
SpectraBase Compound ID BsbWL2zMiK9
InChI InChI=1S/C21H21N3OS/c1-24-20(16-8-3-2-4-9-16)22-23-21(24)26-14-19(25)18-12-11-15-7-5-6-10-17(15)13-18/h2-4,8-9,11-13H,5-7,10,14H2,1H3
InChIKey ZCXXMZDPCLCOBH-UHFFFAOYSA-N
Mol Weight 363.48 g/mol
Molecular Formula C21H21N3OS
Exact Mass 363.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmnUOQGrYQ7
Name 2-[(4-Methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone
CAS Registry Number 298686-62-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3OS
InChI InChI=1S/C21H21N3OS/c1-24-20(16-8-3-2-4-9-16)22-23-21(24)26-14-19(25)18-12-11-15-7-5-6-10-17(15)13-18/h2-4,8-9,11-13H,5-7,10,14H2,1H3
InChIKey ZCXXMZDPCLCOBH-UHFFFAOYSA-N
Molecular Weight 363.479 g/mol
SMILES c1ccc(-c2[n](c(nn2)SCC(c2cc3CCCCc3cc2)=O)C)cc1
SPLASH splash10-0a4i-4901000000-cc871a6fc456d1a7bc77
Source of Spectrum AD-0-2532-0
Synonyms 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-tetralin-6-yl-ethanone 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-tetralin-6-yl-ethanone Ethanone, 1-(5,6,7,8-tetrahydronaphthyl)-2-(4-methyl-5-phenyl-4H-triazol-2-ylthio)-
Wiley ID 1431368