2-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
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![2-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fa509818f5d24fa39082acf15d4b3156.png "2-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one")
2-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
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CAS No:
838880-94-7
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Formula:
C17H12ClN5OS
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Chemical Name:
2-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one
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Synonyms:
2-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone;MLS000332011;CHEMBL1308952;CHEBI:107620;HMS2560E18;ZINC5804704;STK782969;STK852726;AKOS005619871;AKOS005629991;MCULE-8617104653;2-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one;SMR000221479;SR-01000302419;SR-01000302419-1;Q27185945;2-((4-(2-chlorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)phthalazin-1(2H)-one;2-[4-(2-Chloro-phenyl)-5-mercapto-4H-[1,2,4]triazol-3-ylmethyl]-2H-phthalazin-1-one;2-{[4-(2-chlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one;2-{[4-(2-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one;838880-94-7
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CAS No:
Description
2-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone is a member of phthalazines.
2-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Basic Attributes
369.8 g/mol
369.0451089 g/mol
Computed Properties
Molecular Weight:369.8
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:369.0451089
Monoisotopic Mass:369.0451089
Topological Polar Surface Area:92.4
Heavy Atom Count:25
Complexity:624
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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