2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0538f48620594608bf6b378bdd2efd73.png "2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
302949-26-4
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Formula:
C19H17N5OS3
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Chemical Name:
2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
302949-26-4;2-(((4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one;2-{[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;ZINC2665418;STL079717;AKOS002057249;MCULE-7117933555;2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one;ST50131607;AB00097839-01;F0439-0006;2-[(4-phenyl-5-thioxo-1,2,4-triazolin-3-yl)methylthio]-3,5,6,7,8-pentahydroben zo[b]thiopheno[2,3-d]pyrimidin-4-one;2-{[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]thio}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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CAS No:
2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
427.6 g/mol
427.05952370 g/mol
Computed Properties
Molecular Weight:427.6
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:427.05952370
Monoisotopic Mass:427.05952370
Topological Polar Surface Area:155
Heavy Atom Count:28
Complexity:720
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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