3-(Methylthio)-5-phenyl-N-[(3-phenyl-1H-pyrazol-4-yl)methylene]-4H-1,2,4-triazol-4-amine
Basic information
- CAS
1015846-70-4- Standard SMILES
CSc1nnc(-c2ccccc2)n1N=Cc1cn[nH]c1-c1ccccc1- InChIKey
FPHROOZXAHYQJO-UHFFFAOYSA-N- Molecular formula
- C19H16N6S
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.11571571
Names & identifiers
- Preferred name
- 3-(Methylthio)-5-phenyl-N-[(3-phenyl-1H-pyrazol-4-yl)methylene]-4H-1,2,4-triazol-4-amine
- IUPAC
- N-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)-1-(5-phenyl-1H-pyrazol-4-yl)methanimine
Names & synonyms
3-(Methylthio)-5-phenyl-N-[(3-phenyl-1H-pyrazol-4-yl)methylene]-4H-1,2,4-triazol-4-amineDTXSID3011240541015846-70-4N-[3-(Methylsulfanyl)-5-phenyl-4H-1,2,4-triazol-4-yl]-1-(3-phenyl-1H-pyrazol-4-yl)methanimine
Database identifiers
- CAS
1015846-70-4- PubChem CID
- 1297974
- DTXSID
DTXSID301124054
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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