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1H-pyrazole-4-carboxylic acid, 3-[[(1Z)-1-[1-(2-benzothiazolyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]ethyl]amino]-, ethyl ester
SpectraBase Compound ID JsCXXR2qOBP
InChI InChI=1S/C19H18N6O3S/c1-4-28-18(27)12-9-20-23-16(12)21-10(2)15-11(3)24-25(17(15)26)19-22-13-7-5-6-8-14(13)29-19/h5-9H,4H2,1-3H3,(H2,20,21,23)/b15-10-
InChIKey RTVUULPELMRUGM-GDNBJRDFSA-N
Mol Weight 410.45 g/mol
Molecular Formula C19H18N6O3S
Exact Mass 410.11611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNuTzLqSnnx
Name 5-[[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-4-pyrazolylidene]ethyl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N6O3S
InChI InChI=1S/C19H18N6O3S/c1-4-28-18(27)12-9-20-23-16(12)21-10(2)15-11(3)24-25(17(15)26)19-22-13-7-5-6-8-14(13)29-19/h5-9H,4H2,1-3H3,(H2,20,21,23)/b15-10-
InChIKey RTVUULPELMRUGM-GDNBJRDFSA-N
Molecular Weight 410.452 g/mol
SMILES N(c1n[nH]cc1C(=O)OCC)\C(=C/1C(N(c2nc3ccccc3s2)N=C1C)=O)C
SPLASH splash10-0a4m-7943000000-532b273ee1ee292aa868
Synonyms 5-[[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]ethyl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester Ethyl 3-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)-1H-pyrazole-4-carboxylate Ethyl 5-[[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]ethyl]amino]-1H-pyrazole-4-carboxylate Ethyl 5-[[(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-pyrazol-4-ylidene]ethyl]amino]-1H-pyrazole-4-carboxylate
Wiley ID 1460187