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Ethyl-2-[(3,5-diamino-1-carbamothioyl-1H-pyrazol-4-yl)diazenyl]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
SpectraBase Compound ID 54gzy6xbREG
InChI InChI=1S/C19H20N8O3S2/c1-3-30-18(29)11-9(2)13(16(28)23-10-7-5-4-6-8-10)32-17(11)25-24-12-14(20)26-27(15(12)21)19(22)31/h4-8H,3,21H2,1-2H3,(H2,20,26)(H2,22,31)(H,23,28)
InChIKey SSNITEDZZIJRHF-UHFFFAOYSA-N
Mol Weight 472.54 g/mol
Molecular Formula C19H20N8O3S2
Exact Mass 472.109979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4v9K2ACyGgR
Name Ethyl-2-[(3,5-diamino-1-carbamothioyl-1H-pyrazol-4-yl)diazenyl]-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N8O3S2
InChI InChI=1S/C19H20N8O3S2/c1-3-30-18(29)11-9(2)13(16(28)23-10-7-5-4-6-8-10)32-17(11)25-24-12-14(20)26-27(15(12)21)19(22)31/h4-8H,3,21H2,1-2H3,(H2,20,26)(H2,22,31)(H,23,28)
InChIKey SSNITEDZZIJRHF-UHFFFAOYSA-N
Instrument Name Finnegan MAT 212
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2622
Molecular Weight 472.542 g/mol
SMILES N(C(c1sc(N=Nc2c([n](C(N)=S)nc2N)N)c(c1C)C(OCC)=O)=O)c1ccccc1
SPLASH splash10-01w0-3796500000-469d0a353c703a529a76
Source of Spectrum Y-54-SM2-5
Wiley ID 1880712