Basic information
- Standard SMILES
CSc1cccc(C(=NOCc2csc(Br)n2)c2nnnn2C)c1- InChIKey
GPSIUZZEDHDGQI-UHFFFAOYSA-N- Molecular formula
- C14H13BrN6OS2
- Average molar mass
- 425.3 g/mol
- Monoisotopic mass
- 423.97756
Names & identifiers
- Preferred name
- N-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-[3-(methylsulfanyl)phenyl]-1-(1-methyl-1H-tetrazol-5-yl)methanimine
- IUPAC
- N-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-(3-methylsulfanylphenyl)-1-(1-methyltetrazol-5-yl)methanimine
Names & synonyms
SCHEMBL1858584GPSIUZZEDHDGQI-UHFFFAOYSA-NN-[(2-bromo-1,3-thiazol-4-yl)methoxy]-1-[3-(methylsulfanyl)phenyl]-1-(1-methyl-1H-tetrazol-5-yl)methanimine
Database identifiers
- PubChem CID
- 86653147
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Related reactions
4 records
Compound notes
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