3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-
Basic information
- CAS
126016-45-3- Standard SMILES
S=c1[nH]nc(-c2[nH]c3ccc(Br)cc3c2-c2ccccc2)n1-c1ccccc1- InChIKey
NYXQBBQUOJHAMQ-UHFFFAOYSA-N- Molecular formula
- C22H15BrN4S
- Average molar mass
- 447.4 g/mol
- Monoisotopic mass
- 446.02008
Names & identifiers
- Preferred name
- 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-
- IUPAC
- 3-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
Names & synonyms
126016-45-33H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-RefChem:1068909BRN 45777032,4-Dihydro-5-(5-bromo-3-phenyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
126016-45-3- PubChem CID
- 3079567
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 614
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Compound notes
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