Basic information
- CAS
606111-47-1- Standard SMILES
CCCCn1c(SCC(=O)c2ccc(C)cc2C)nnc1-c1ccco1- InChIKey
APJFLVZXYSNEJY-UHFFFAOYSA-N- Molecular formula
- C20H23N3O2S
- Average molar mass
- 369.5 g/mol
Names & identifiers
- Preferred name
- 2-[[4-Butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dimethylphenyl)ethanone
- IUPAC
- 2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dimethylphenyl)ethanone
- English name
- Ethanone, 2-[[4-butyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]-1-(2,4-dimethylphenyl)- (9CI)
- Molecular formula
- C20H23N3O2S
- Molecular weight
- 369.48
Names & synonyms
606111-47-1DB-287322ETHANONE, 2-[[4-BUTYL-5-(2-FURANYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-1-(2,4-DIMETHYLPHENYL)-Ethanone, 2-[[4-butyl-5-(2-furanyl)-4H-1,2,4-triazol-3-yl]thio]-1-(2,4-dimethylphenyl)- (9CI)
Database identifiers
- CAS
606111-47-1
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 464
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
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Compound notes
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