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2-Acetyl-4,5-diphenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 4GFAcqaP8oj
InChI InChI=1S/C16H13N3OS/c1-12(20)19-16(21)18(14-10-6-3-7-11-14)15(17-19)13-8-4-2-5-9-13/h2-11H,1H3
InChIKey YRNCACACIVEGFI-UHFFFAOYSA-N
Mol Weight 295.36 g/mol
Molecular Formula C16H13N3OS
Exact Mass 295.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPQkc6LMlQz
Name 2-Acetyl-4,5-diphenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Alternate Name(s) 1-(3,4-diphenyl-5-sulfanylidene-1,2,4-triazol-1-yl)ethanone 1-(3,4-diphenyl-5-thioxo-1,2,4-triazol-1-yl)ethanone Ethanone, 1-(4,5-dihydro-3,4-diphenyl-5-thioxo-1H-1,2,4-triazol-1-yl)-
CAS Registry Number 109505-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3OS
InChI InChI=1S/C16H13N3OS/c1-12(20)19-16(21)18(14-10-6-3-7-11-14)15(17-19)13-8-4-2-5-9-13/h2-11H,1H3
InChIKey YRNCACACIVEGFI-UHFFFAOYSA-N
Molecular Weight 295.360 g/mol
SMILES c1ccc(C2=NN(C(N2c2ccccc2)=S)C(=O)C)cc1
SPLASH splash10-0udi-2290000000-98a941020f849bb3cc23
Wiley ID 1455561