Thiazolo(2,3-c)-1,2,4-triazol-5(6H)-one, 3-phenyl-6-(phenylmethylene)-
Basic information
- CAS
95356-81-3- Standard SMILES
O=c1/c(=C\c2ccccc2)sc2nnc(-c3ccccc3)n12- InChIKey
BKMODYAJXAISPW-SDNWHVSQSA-N- Molecular formula
- C17H11N3OS
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.06228316
Names & identifiers
- Preferred name
- Thiazolo(2,3-c)-1,2,4-triazol-5(6H)-one, 3-phenyl-6-(phenylmethylene)-
- IUPAC
- (6E)-6-benzylidene-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Names & synonyms
Thiazolo(2,3-c)-1,2,4-triazol-5(6H)-one, 3-phenyl-6-(phenylmethylene)-95356-81-3RefChem:1099914BRN 55788653-Phenyl-6-(phenylmethylene)thiazolo(2,3-c)-1,2,4-triazol-5(6H)-oneAKOS000348278AG-690/10208009SR-01000316336SR-01000316336-16-benzylidene-3-phenyl[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one
Database identifiers
- CAS
95356-81-3- PubChem CID
- 757666
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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