N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide
Basic information
- CAS
6182-51-0- Standard SMILES
Cc1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2Cl)cc1- InChIKey
YMNWLNCXIFLASC-UHFFFAOYSA-N- Molecular formula
- C17H15ClN4OS
- Average molar mass
- 358.8 g/mol
- Monoisotopic mass
- 358.06551
Names & identifiers
- Preferred name
- N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide
- IUPAC
- N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide
Names & synonyms
392247-44-8N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide6182-51-0F0475-0473Oprea1_158187DTXSID70411588AKOS024578603N-[[4-(2-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-4-methylbenzamideN-((4-(2-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-4-methylbenzamide
Database identifiers
- CAS
6182-51-0- PubChem CID
- 5228090
- DTXSID
DTXSID70411588
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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