2-[[4-(3,5-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
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![2-[[4-(3,5-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2022010b927d40e086a27a5f7263d095.png "2-[[4-(3,5-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one")
2-[[4-(3,5-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
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CAS No:
728015-36-9
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Formula:
C17H11Cl2N5OS
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Chemical Name:
2-[[4-(3,5-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
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Synonyms:
MLS000331869;CHEMBL1388680;HMS2578E17;ZINC5706324;STK587167;STK781771;AKOS000585174;AKOS005510146;MCULE-9503830848;SMR000221431;ST50370460;2-((4-(3,5-dichlorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)phthalazin-1(2H)-one;2-[4-(3,5-Dichloro-phenyl)-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl]-2H-phthalazin-1-one;2-{[4-(3,5-dichlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one;2-{[4-(3,5-dichlorophenyl)-5-sulfanyl-1,2,4-triazol-3-yl]methyl}-2-hydrophthal azin-1-one;2-{[4-(3,5-dichlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one;728015-36-9
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CAS No:
2-[[4-(3,5-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Basic Attributes
404.3 g/mol
403.0061366 g/mol
Computed Properties
Molecular Weight:404.3
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:403.0061366
Monoisotopic Mass:403.0061366
Topological Polar Surface Area:92.4
Heavy Atom Count:26
Complexity:647
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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