Basic information
- Standard SMILES
CC(Sc1nnc(-c2ccncc2)n1C1CC1)c1nnn(-c2cccc(Cl)c2)n1- InChIKey
IUJVCUPZEAGDSU-UHFFFAOYSA-N- Molecular formula
- C19H17ClN8S
- Average molar mass
- 424.9 g/mol
Names & identifiers
- Preferred name
- 4-[5-({1-[2-(3-chlorophenyl)-2H-tetrazol-5-yl]ethyl}thio)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]pyridine
- IUPAC
- 4-[5-[1-[2-(3-chlorophenyl)tetrazol-5-yl]ethylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine
Names & synonyms
SCHEMBL2897581IUJVCUPZEAGDSU-UHFFFAOYSA-N4-[5-({1-[2-(3-chlorophenyl)-2H-tetrazol-5-yl]ethyl}thio)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]pyridine
Database identifiers
- PubChem CID
- 11633237
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 548
Related reactions
2 records
Compound notes
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