1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
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1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
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CAS No:
332043-45-5
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Formula:
C18H18N4O2S4
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Chemical Name:
1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
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Synonyms:
1-(8-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)ethanone;ChemDiv1_007667;Oprea1_501754;Oprea1_811615;HMS608M11;ZINC2266307;STK081836;AKOS000620343;MCULE-5094277762;ST50241700;AB00094538-01;SR-01000465534;SR-01000465534-1;2-(4H-1,2,4-triazol-3-ylthio)-1-(8-ethoxy-4,4-dimethyl-1-thioxo(4,5-dihydro-1, 2-dithioleno[5,4-c]quinolin-5-yl))ethan-1-one;332043-45-5;8-ethoxy-4,4-dimethyl-5-[(4H-1,2,4-triazol-3-ylthio)acetyl]-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione
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CAS No:
1-(8-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Basic Attributes
450.6 g/mol
450.03126052 g/mol
Computed Properties
Molecular Weight:450.6
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:450.03126052
Monoisotopic Mass:450.03126052
Topological Polar Surface Area:179
Heavy Atom Count:28
Complexity:687
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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