2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one
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![2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/32e7e7e37d954509a2cde63791a9b838.png "2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one")
2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one
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CAS No:
839681-22-0
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Formula:
C17H13N5OS
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Chemical Name:
2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one
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Synonyms:
MLS000331938;CHEMBL1529539;HMS2560E12;ZINC5706260;STK782979;STK848869;AKOS005628553;AKOS032395469;MCULE-8323700593;SMR000221406;SR-01000305078;SR-01000305078-1;2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one;2-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)phthalazin-1(2H)-one;2-(5-Mercapto-4-phenyl-4H-[1,2,4]triazol-3-ylmethyl)-2H-phthalazin-1-one;2-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]phthalazin-1(2H)-one;2-[(4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1(2H)-one;839681-22-0
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CAS No:
2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Basic Attributes
335.4 g/mol
335.08408123 g/mol
Computed Properties
Molecular Weight:335.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:335.08408123
Monoisotopic Mass:335.08408123
Topological Polar Surface Area:92.4
Heavy Atom Count:24
Complexity:584
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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