3-(3-Methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-diphenyl-1,2,4-triazine
Basic information
- CAS
77164-83-1- Standard SMILES
Cn1cnc([N+](=O)[O-])c1Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1- InChIKey
NHNOPIDBCZBAKJ-UHFFFAOYSA-N- Molecular formula
- C19H14N6O2S
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.08989488
Names & identifiers
- Preferred name
- 3-(3-Methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-diphenyl-1,2,4-triazine
- IUPAC
- 3-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-5,6-diphenyl-1,2,4-triazine
Names & synonyms
MLS00317116677164-83-1NSC359686DTXSID60320453NSC-359686SMR0018750733-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5,6-diphenyl-1,2,4-triazine
Database identifiers
- CAS
77164-83-1- PubChem CID
- 338221
- DTXSID
DTXSID60320453
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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