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1H-pyrazole-4-carboxylic acid, 5-[[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]-1-phenyl-, ethyl ester
SpectraBase Compound ID ZHvblOarh6
InChI InChI=1S/C17H17N5O3S2/c1-3-25-16(24)13-9-18-22(12-7-5-4-6-8-12)15(13)19-14(23)10-26-17-21-20-11(2)27-17/h4-9H,3,10H2,1-2H3,(H,19,23)
InChIKey XDSPYQADIJLUSV-UHFFFAOYSA-N
Mol Weight 403.48 g/mol
Molecular Formula C17H17N5O3S2
Exact Mass 403.077282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7DegZAStKR
Name 5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester
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Formula C17H17N5O3S2
InChI InChI=1S/C17H17N5O3S2/c1-3-25-16(24)13-9-18-22(12-7-5-4-6-8-12)15(13)19-14(23)10-26-17-21-20-11(2)27-17/h4-9H,3,10H2,1-2H3,(H,19,23)
InChIKey XDSPYQADIJLUSV-UHFFFAOYSA-N
Molecular Weight 403.475 g/mol
SMILES N(c1c(cn[n]1-c1ccccc1)C(=O)OCC)C(=O)CSc1sc(C)nn1
SPLASH splash10-00di-6910000000-ab8c4423105132c572cc
Synonyms 5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Ethyl 5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]-1-phenyl-pyrazole-4-carboxylate Ethyl 5-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-1-phenyl-pyrazole-4-carboxylate
Wiley ID 1454463