2,4-Dihydro-5-phenyl-4-[(phenylmethylene)amino]-3H-1,2,4-triazole-3-thione
Basic information
- CAS
22706-12-3- Standard SMILES
S=c1[nH]nc(-c2ccccc2)n1N=Cc1ccccc1- InChIKey
DFCISOWMWAKUDC-UHFFFAOYSA-N- Molecular formula
- C15H12N4S
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.07826757
Names & identifiers
- Preferred name
- 2,4-Dihydro-5-phenyl-4-[(phenylmethylene)amino]-3H-1,2,4-triazole-3-thione
- IUPAC
- 4-(benzylideneamino)-3-phenyl-1H-1,2,4-triazole-5-thione
Names & synonyms
2,4-Dihydro-5-phenyl-4-[(phenylmethylene)amino]-3H-1,2,4-triazole-3-thione22706-12-32,4-Dihydro-5-phenyl-4-((phenylmethylene)amino)-3H-1,2,4-triazole-3-thioneRefChem:2464804-(benzylideneamino)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thioneSCHEMBL10012422DTXSID801145766AKOS002174529ST500574514-((1Z)-2-phenyl-1-azavinyl)-5-phenyl-1,2,4-triazole-3-thiol
Database identifiers
- CAS
22706-12-3- PubChem CID
- 935263
- DTXSID
DTXSID801145766
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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