2-[[4-Methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2-hydroxy-3-methoxyphenyl)methylene]hydrazide
Basic information
- CAS
444932-32-5- Standard SMILES
COc1cccc(C=NNC(=O)CSc2nnc(-c3cccc(C)c3)n2C)c1O- InChIKey
RWOIYDZOYHXZEQ-UHFFFAOYSA-N- Molecular formula
- C20H21N5O3S
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.13651072
Names & identifiers
- Preferred name
- 2-[[4-Methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2-hydroxy-3-methoxyphenyl)methylene]hydrazide
- IUPAC
- N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Names & synonyms
DTXSID8011050552-[[4-Methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid 2-[(2-hydroxy-3-methoxyphenyl)methylene]hydrazide444932-32-5N'-[(2-hydroxy-3-methoxyphenyl)methylidene]-2-{[4-methyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Database identifiers
- CAS
444932-32-5- PubChem CID
- 3376940
- DTXSID
DTXSID801105055
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 566
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Compound notes
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