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Ethyl 5-([1-(4-chlorophenyl)-3-methyl-5-oxo-2-pyrazolin-4-ylidene]methylamino)-4-cyano-3-methyl-2-thiophenecarboxylate
SpectraBase Compound ID 6kyXpLgISM8
InChI InChI=1S/C20H17ClN4O3S/c1-4-28-20(27)17-11(2)15(9-22)18(29-17)23-10-16-12(3)24-25(19(16)26)14-7-5-13(21)6-8-14/h5-8,10,23H,4H2,1-3H3/b16-10-
InChIKey UXHVGMQCRQBXJS-YBEGLDIGSA-N
Mol Weight 428.89 g/mol
Molecular Formula C20H17ClN4O3S
Exact Mass 428.070989 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSQ9qLDuZE5
Name Ethyl 5-([1-(4-chlorophenyl)-3-methyl-5-oxo-2-pyrazolin-4-ylidene]methylamino)-4-cyano-3-methyl-2-thiophenecarboxylate
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17ClN4O3S
InChI InChI=1S/C20H17ClN4O3S/c1-4-28-20(27)17-11(2)15(9-22)18(29-17)23-10-16-12(3)24-25(19(16)26)14-7-5-13(21)6-8-14/h5-8,10,23H,4H2,1-3H3/b16-10-
InChIKey UXHVGMQCRQBXJS-YBEGLDIGSA-N
Molecular Weight 428.894 g/mol
SMILES N(c1sc(c(C)c1C#N)C(OCC)=O)\C=C/1C(N(c2ccc(cc2)Cl)N=C1C)=O
SPLASH splash10-016r-9770600000-aef09a187f8b3d42a281
Synonyms Ethyl 5-(((Z)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl)amino)-4-cyano-3-methyl-2-thiophenecarboxylate Ethyl 5-[[(Z)-[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
Wiley ID 1467285