2-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
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![2-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8ae0eca0c7d742a3ad01fabf05cd25b8.png "2-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one")
2-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
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CAS No:
728012-99-5
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Formula:
C18H15N5OS
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Chemical Name:
2-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
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Synonyms:
ZINC02229207;CBKinase1_010956;CBKinase1_023356;MLS000679796;CHEMBL1360593;HMS2765K11;ZINC5797409;STK781749;STK847696;AKOS001732496;AKOS005627912;MCULE-5664891599;SMR000296643;SR-01000298764;SR-01000298764-1;BRD-K16787117-001-01-7;2-[[4-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one;2-{[4-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one;2-{[5-mercapto-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-1(2H)-phthalazinone;2-{[5-mercapto-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one;2-{[4-(4-methylphenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one;728012-99-5
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CAS No:
2-[[4-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Basic Attributes
349.4 g/mol
349.09973129 g/mol
Computed Properties
Molecular Weight:349.4
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:349.09973129
Monoisotopic Mass:349.09973129
Topological Polar Surface Area:92.4
Heavy Atom Count:25
Complexity:611
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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