3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-(4-methoxyphenyl)-
Basic information
- CAS
116989-73-2- Standard SMILES
COc1ccc(-n2c(Cn3c4ccc(Cl)cc4c4nc5ccccc5nc43)n[nH]c2=S)cc1- InChIKey
CRXOQKIUPADUML-UHFFFAOYSA-N- Molecular formula
- C24H17ClN6OS
- Average molar mass
- 472.9 g/mol
- Monoisotopic mass
- 472.0873081
Names & identifiers
- Preferred name
- 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-(4-methoxyphenyl)-
- IUPAC
- 3-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Names & synonyms
116989-73-23H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((9-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-(4-methoxyphenyl)-DTXSID70151639RefChem:282986DTXCID00741305-[(9-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl]-4-(4-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
116989-73-2- PubChem CID
- 3088134
- DTXSID
DTXSID70151639
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 776
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Compound notes
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