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3-[(1,1-Dioxido-2,3-dihydro-3-thienyl)sulfanyl]-5-methyl-4H-1,2,4-triazole
SpectraBase Compound ID 9e51XL5FN1L
InChI InChI=1S/C7H9N3O2S2/c1-5-8-7(10-9-5)13-6-2-3-14(11,12)4-6/h2-3,6H,4H2,1H3,(H,8,9,10)
InChIKey YIFFDXRDUAOVIK-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C7H9N3O2S2
Exact Mass 231.013619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yvIWv0FqXk
Name 3-[(1,1-Dioxido-2,3-dihydro-3-thienyl)sulfanyl]-5-methyl-4H-1,2,4-triazole
CAS Registry Number 294668-91-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9N3O2S2
InChI InChI=1S/C7H9N3O2S2/c1-5-8-7(10-9-5)13-6-2-3-14(11,12)4-6/h2-3,6H,4H2,1H3,(H,8,9,10)
InChIKey YIFFDXRDUAOVIK-UHFFFAOYSA-N
Molecular Weight 231.288 g/mol
SMILES [nH]1c(nnc1C)SC1CS(C=C1)(=O)=O
SPLASH splash10-015c-9600000000-d4fb7cc598c29bbf59a4
Source of Spectrum AD-0-2532-0
Synonyms 1,2,4-Triazole, 3-methyl-5-(2,3-dihydro-1,1-dioxydothien-3-yl)thio- 3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2,3-dihydrothiophene 1,1-dioxide 3-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2,3-dihydrothiophene 1,1-dioxide
Wiley ID 1425769