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ethanone, 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]-1-(5,6,7,8-tetrahydro-2-naphthalenyl)-
SpectraBase Compound ID BAImpQtjled
InChI InChI=1S/C26H23N3OS/c30-24(22-16-15-19-9-7-8-12-21(19)17-22)18-31-26-28-27-25(20-10-3-1-4-11-20)29(26)23-13-5-2-6-14-23/h1-6,10-11,13-17H,7-9,12,18H2
InChIKey JGNMSYMVPHDNDY-UHFFFAOYSA-N
Mol Weight 425.55 g/mol
Molecular Formula C26H23N3OS
Exact Mass 425.156184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Cc3Y3ZyyUT
Name 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
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Formula C26H23N3OS
InChI InChI=1S/C26H23N3OS/c30-24(22-16-15-19-9-7-8-12-21(19)17-22)18-31-26-28-27-25(20-10-3-1-4-11-20)29(26)23-13-5-2-6-14-23/h1-6,10-11,13-17H,7-9,12,18H2
InChIKey JGNMSYMVPHDNDY-UHFFFAOYSA-N
Molecular Weight 425.550 g/mol
SMILES c1ccc(-c2[n](c(nn2)SCC(c2cc3CCCCc3cc2)=O)-c2ccccc2)cc1
SPLASH splash10-0a4i-3910000000-6be8216a048a0181b1c1
Synonyms 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-tetralin-6-yl-ethanone 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]-1-tetralin-6-yl-ethanone
Wiley ID 1461154