1H-1,2,4-Triazole, 5-ethyl-4,5-dihydro-3-(methylthio)-1,4-diphenyl-
Basic information
- CAS
56111-42-3- Standard SMILES
CCC1N(c2ccccc2)N=C(SC)N1c1ccccc1- InChIKey
SJUXXUHPNJJZPZ-UHFFFAOYSA-N- Molecular formula
- C17H19N3S
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.12996879
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole, 5-ethyl-4,5-dihydro-3-(methylthio)-1,4-diphenyl-
- IUPAC
- 3-ethyl-5-methylsulfanyl-2,4-diphenyl-3H-1,2,4-triazole
Names & synonyms
1H-1,2,4-Triazole, 5-ethyl-4,5-dihydro-3-(methylthio)-1,4-diphenyl-56111-42-3DTXSID804802455-Ethyl-3-(methylsulfanyl)-1,4-diphenyl-4,5-dihydro-1H-1,2,4-triazole
Database identifiers
- CAS
56111-42-3- PubChem CID
- 12201617
- DTXSID
DTXSID80480245
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
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Compound notes
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