Basic information
- CAS
5751-63-3- Standard SMILES
COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccncc3)n2-c2ccccc2)cc(OC)c1OC- InChIKey
HCAUVWWKQMQXNH-JFLMPSFJSA-N- Molecular formula
- C25H24N6O4S
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.15797444
Names & identifiers
- Preferred name
- 2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
- IUPAC
- 2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
Names & synonyms
5751-63-3AC1NSMVESCHEMBL13856350DTXSID00416627STL362666AKOS0016167622-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide2-{[4-PHENYL-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-4-PYRIDINYLMETHYLIDENE]ACETOHYDRAZIDEST50064250(E)-2-((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-4-ylmethylene)acetohydrazide2-{[4-PHENYL-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(PYRIDIN-4-YL)METHYLIDENE]ACETOHYDRAZIDE2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-4-ylmethylidene]acetohydrazide
Show more names
2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N'-(4-pyridinylmethylene)acetohydrazideN-((1E)-2-(4-pyridyl)-1-azavinyl)-2-[4-phenyl-5-(3,4,5-trimethoxyphenyl)(1,2,4 -triazol-3-ylthio)]acetamide
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 692
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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