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Isothiourea, S-methyl-N-(1,3,5-trimethyl-4-pyrazolyl)-N'-phenylsulfonyl-
SpectraBase Compound ID eVl9LmoUlP
InChI InChI=1S/C14H18N4O2S2/c1-10-13(11(2)18(3)16-10)15-14(21-4)17-22(19,20)12-8-6-5-7-9-12/h5-9H,1-4H3,(H,15,17)
InChIKey VNBIDERTKPKSRA-UHFFFAOYSA-N
Mol Weight 338.44 g/mol
Molecular Formula C14H18N4O2S2
Exact Mass 338.087118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JygRIqnTwBB
Name Isothiourea, S-methyl-N-(1,3,5-trimethyl-4-pyrazolyl)-N'-phenylsulfonyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N4O2S2
InChI InChI=1S/C14H18N4O2S2/c1-10-13(11(2)18(3)16-10)15-14(21-4)17-22(19,20)12-8-6-5-7-9-12/h5-9H,1-4H3,(H,15,17)
InChIKey VNBIDERTKPKSRA-UHFFFAOYSA-N
Molecular Weight 338.444 g/mol
SMILES N(c1c([n](C)nc1C)C)\C(=N\S(=O)(=O)c1ccccc1)SC
SPLASH splash10-054k-8910000000-ddbb470ceff52737f8ee
Source of Spectrum AD-0-2532-0
Synonyms 3-(benzenesulfonyl)-2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)isothiourea 3-besyl-2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)isothiourea Methyl N'-(benzenesulfonyl)-N-(1,3,5-trimethylpyrazol-4-yl)carbamimidothioate Methyl N'-(phenylsulfonyl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)imidothiocarbamate Methyl N'-(phenylsulfonyl)-N-(1,3,5-trimethylpyrazol-4-yl)carbamimidothioate N'-(benzenesulfonyl)-N-(1,3,5-trimethyl-4-pyrazolyl)carbamimidothioic acid methyl ester
Wiley ID 1425996