Basic information
- CAS
792941-65-2- Standard SMILES
C=CCn1c(CC(=O)Nc2cccc(OC)c2)n[nH]c1=S- InChIKey
NALPJVRVJPLRJY-UHFFFAOYSA-N- Molecular formula
- C14H16N4O2S
- Average molar mass
- 304.37 g/mol
- Monoisotopic mass
- 304.09939694
Names & identifiers
- Preferred name
- N-(3-methoxyphenyl)-2-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetamide
- IUPAC
- N-(3-methoxyphenyl)-2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetamide
Names & synonyms
N-(3-methoxyphenyl)-2-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]acetamideDTXSID501124062STK197709AKOS000283389792941-65-24,5-Dihydro-N-(3-methoxyphenyl)-4-(2-propen-1-yl)-5-thioxo-1H-1,2,4-triazole-3-acetamideN-(3-Methoxyphenyl)-2-[4-(prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]acetamide
Database identifiers
- CAS
792941-65-2- PubChem CID
- 3907770
- DTXSID
DTXSID501124062
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…