Basic information
- CAS
708252-21-5- Standard SMILES
Cn1c(SCc2nc(-c3ccc(Br)cc3)no2)nnc1-c1ccco1- InChIKey
OZSGGICGVZNQLR-UHFFFAOYSA-N- Molecular formula
- C16H12BrN5O2S
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 416.98951
Names & identifiers
- Preferred name
- 3-(4-Bromophenyl)-5-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
- IUPAC
- 3-(4-bromophenyl)-5-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
- English name
- [3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl sulfide
- Molecular formula
- C16H12BrN5O2S
- Molecular weight
- 418.26778
Names & synonyms
3-(4-bromophenyl)-5-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole3-(4-bromophenyl)-5-({[5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}methyl)-1,2,4-oxadiazole3-(4-bromophenyl)-5-({[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazoleMLS000537730CBKinase1_007351CBKinase1_019751CHEMBL1605044HMS2399M11STL406667AKOS000457477CCG-119610SMR000143967
Show more names
AN-023/42555906SR-01000279997SR-01000279997-1BRD-K61268829-001-01-1[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl sulfide708252-21-5
Database identifiers
- CAS
708252-21-5- PubChem CID
- 1007770
- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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