Basic information
- CAS
445284-61-7- Standard SMILES
C=CCn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)Nc1ccccc1Cl- InChIKey
CZQJBDOOEQPNOJ-UHFFFAOYSA-N- Molecular formula
- C24H21ClN4O2S
- Average molar mass
- 465 g/mol
- Monoisotopic mass
- 464.1073748
Names & identifiers
- Preferred name
- 2-({4-allyl-5-[(2-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chlorophenyl)acetamide
- IUPAC
- N-(2-chlorophenyl)-2-[[5-(naphthalen-2-yloxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
- English name
- 2-({4-allyl-5-[(2-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chlorophenyl)acetamide
- Molecular formula
- C24H21ClN4O2S
- Molecular weight
- 464.96714
Names & synonyms
2-({4-allyl-5-[(2-naphthyloxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-chlorophenyl)acetamide445284-61-7AK-968/15252363STK958721AKOS005677780N-(2-chlorophenyl)-2-[[5-(naphthalen-2-yloxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamideN-(2-chlorophenyl)-2-({5-[(naphthalen-2-yloxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamideN-(2-chlorophenyl)-2-{[5-{[(naphthalen-2-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Database identifiers
- CAS
445284-61-7- PubChem CID
- 1011979
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 627
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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