3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((2-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-phenyl-
Basic information
- CAS
109322-21-6- Standard SMILES
S=c1[nH]nc(Cn2c3ccccc3c3nc4cc(Cl)ccc4nc32)n1-c1ccccc1- InChIKey
TXVYWKMQBHEBNT-UHFFFAOYSA-N- Molecular formula
- C23H15ClN6S
- Average molar mass
- 442.9 g/mol
- Monoisotopic mass
- 442.0767434
Names & identifiers
- Preferred name
- 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((2-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-phenyl-
- IUPAC
- 3-[(2-chloroindolo[2,3-b]quinoxalin-6-yl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
Names & synonyms
BRN 5659022109322-21-63H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((2-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-4-phenyl-5-((2-Chloro-6H-indolo(2,3-b)quinoxalin-6-yl)methyl)-2,4-dihydro-4-phenyl-3H-1,2,4-triazole-3-DTXSID10148886RefChem:282974DTXCID10713775-[(2-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
109322-21-6- PubChem CID
- 3065962
- DTXSID
DTXSID10148886
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 727
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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