4-[(2-chloro-3-phenylprop-2-enylidene)amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Basic information
- CAS
488823-79-6- Standard SMILES
S=c1[nH]nc(COc2ccccc2)n1N=CC(Cl)=Cc1ccccc1- InChIKey
BETBXBZZWDBHFR-UHFFFAOYSA-N- Molecular formula
- C18H15ClN4OS
- Average molar mass
- 370.9 g/mol
- Monoisotopic mass
- 370.06551
Names & identifiers
- Preferred name
- 4-[(2-chloro-3-phenylprop-2-enylidene)amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
- IUPAC
- 4-[(2-chloro-3-phenylprop-2-enylidene)amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
Names & synonyms
4-[(2-chloro-3-phenylprop-2-enylidene)amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thioneDTXSID301111085488823-79-6Q271993034-[(2-Chloro-3-phenyl-2-propen-1-ylidene)amino]-2,4-dihydro-5-(phenoxymethyl)-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
488823-79-6- PubChem CID
- 2929883
- DTXSID
DTXSID301111085
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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