Basic information
- CAS
5652-98-2- Standard SMILES
CC(=Nc1cccc(F)c1)c1c(CSc2ccc(Cl)cc2)[nH]n(-c2nc3ccccc3s2)c1=O- InChIKey
GJLFUYKOSQAGRS-UHFFFAOYSA-N- Molecular formula
- C25H18ClFN4OS2
- Average molar mass
- 509 g/mol
- Monoisotopic mass
- 508.0594594
Names & identifiers
- Preferred name
- 1-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-ol
- IUPAC
- 2-(1,3-benzothiazol-2-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-4-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-1H-pyrazol-3-one
Names & synonyms
5652-98-2AC1OACIVDTXSID70425483STK073023STK561325AKOS005390596AKOS0054873671-(1,3-benzothiazol-2-yl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-4-[(1E)-N-(3-fluorophenyl)ethanimidoyl]-1H-pyrazol-5-olST50724747(4Z)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(3-fluorophenyl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one(Z)-1-(benzo[d]thiazol-2-yl)-3-(((4-chlorophenyl)thio)methyl)-4-(1-((3-fluorophenyl)amino)ethylidene)-1H-pyrazol-5(4H)-one1-benzothiazol-2-yl-3-[(4-chlorophenylthio)methyl]-4-{[(3-fluorophenyl)amino]e thylidene}-1,2-diazolin-5-one
Show more names
2-(1,3-Benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(3-fluoroanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
5652-98-2
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 819
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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