2-[(5Z)-5-[[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
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![2-[(5Z)-5-[[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8d644d9f779543b6a96a889511735afc.png "2-[(5Z)-5-[[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid")
2-[(5Z)-5-[[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
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CAS No:
1002539-15-2
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Formula:
C23H20ClN3O5S3
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Chemical Name:
2-[(5Z)-5-[[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
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Synonyms:
C23H20ClN3O5S3;STK706618;AKOS005180857;ZINC101024584;(Z)-2-(5-((3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid;1002539-15-2;2-[(5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid
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CAS No:
2-[(5Z)-5-[[3-(3-chloro-4-ethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid Basic Attributes
550.1 g/mol
549.0253620 g/mol
Computed Properties
Molecular Weight:550.1
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:549.0253620
Monoisotopic Mass:549.0253620
Topological Polar Surface Area:168
Heavy Atom Count:35
Complexity:922
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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