Basic information
- CAS
4506-99-4- Standard SMILES
O=[N+]([O-])c1ccc(C=CC=Nn2c(-c3ccccc3)n[nH]c2=S)o1- InChIKey
AQILLCXDRJAPDR-UHFFFAOYSA-N- Molecular formula
- C15H11N5O3S
- Average molar mass
- 341.3 g/mol
- Monoisotopic mass
- 341.0582604
Names & identifiers
- Preferred name
- 4-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
- IUPAC
- 4-[3-(5-nitrofuran-2-yl)prop-2-enylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Names & synonyms
4506-99-4DTXSID104114664-{[3-(5-Nitrofuran-2-yl)prop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Database identifiers
- CAS
4506-99-4- PubChem CID
- 5226478
- DTXSID
DTXSID10411466
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 580
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…