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2-Ethyl-N-(4'-ethoxycarbonylpyrazol-3'-yl)-N'-(4'-bromophenyl)thiourea-4-carboxylate
SpectraBase Compound ID C2EMAQ4kvuo
InChI InChI=1S/C15H17BrN4O2S/c1-3-20-13(12(9-17-20)14(21)22-4-2)19-15(23)18-11-7-5-10(16)6-8-11/h5-9H,3-4H2,1-2H3,(H2,18,19,23)
InChIKey XNLODJMMFBWZHI-UHFFFAOYSA-N
Mol Weight 397.29 g/mol
Molecular Formula C15H17BrN4O2S
Exact Mass 396.02556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaKVbL6YsyN
Name 2-Ethyl-N-(4'-ethoxycarbonylpyrazol-3'-yl)-N'-(4'-bromophenyl)thiourea-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17BrN4O2S
InChI InChI=1S/C15H17BrN4O2S/c1-3-20-13(12(9-17-20)14(21)22-4-2)19-15(23)18-11-7-5-10(16)6-8-11/h5-9H,3-4H2,1-2H3,(H2,18,19,23)
InChIKey XNLODJMMFBWZHI-UHFFFAOYSA-N
Molecular Weight 397.291 g/mol
SMILES N(c1c(cn[n]1CC)C(=O)OCC)C(Nc1ccc(cc1)Br)=S
SPLASH splash10-0089-0900000000-a8fbe6203d0d8b5b0121
Source of Spectrum Y-32-1156-5
Synonyms 5-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-1-ethyl-4-pyrazolecarboxylic acid ethyl ester Ethyl 5-[(4-bromophenyl)carbamothioylamino]-1-ethylpyrazole-4-carboxylate Ethyl 5-[(4-bromophenyl)carbamothioylamino]-1-ethyl-pyrazole-4-carboxylate
Wiley ID 1367227