3,5-dimethoxy-N-((5-thioxo-4-(m-tolyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide
Basic information
- CAS
6182-38-3- Standard SMILES
COc1cc(OC)cc(C(=O)NCc2n[nH]c(=S)n2-c2cccc(C)c2)c1- InChIKey
QZHDISWGJCSMBJ-UHFFFAOYSA-N- Molecular formula
- C19H20N4O3S
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.12561169
Names & identifiers
- Preferred name
- 3,5-dimethoxy-N-((5-thioxo-4-(m-tolyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide
- IUPAC
- 3,5-dimethoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
Names & synonyms
3,5-dimethoxy-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide391887-52-8F0475-02486182-38-33,5-dimethoxy-N-((5-thioxo-4-(m-tolyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamideOprea1_084147DTXSID50411501SMSSF-0056444AKOS0245785823,5-dimethoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamideN-{[5-thioxo-4-(m-tolyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}3,5-dianisamide
Database identifiers
- CAS
6182-38-3- PubChem CID
- 5226937
- DTXSID
DTXSID50411501
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 573
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Compound notes
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