2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
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Basic information
- CAS
306756-05-8- Standard SMILES
Cc1ccsc1C=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1- InChIKey
HNXOYDKEHUXCMJ-UHFFFAOYSA-N- Molecular formula
- C22H19N5OS2
- Average molar mass
- 433.6 g/mol
Names & identifiers
- Preferred name
- 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
- IUPAC
- 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
- English name
- 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(3-methyl-2-thienyl)methylene]acetohydrazide
- Molecular formula
- C22H19N5OS2
- Molecular weight
- 433.55
Names & synonyms
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(3-methyl-2-thienyl)methylene]acetohydrazideAcetic acid, 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]-, 2-[(3-methyl-2-thienyl)methylene]hydrazide2-[(4,5-DIPHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N'-[(E)-(3-METHYL-2-THIENYL)METHYLIDENE]ACETOHYDRAZIDE2-[(4,5-DIPHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N'-[(E)-(3-METHYL-2-THIENYL)METHYLIDENE]ACETOHYDRAZIDE2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(E)-(3-methylthiophen-2-yl)methylidene]acetohydrazide
Database identifiers
- CAS
306756-05-8
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Density
- 1.324 · 1.324±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.607 · 11.607±0.46(predicted)
Related reactions
0 records
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Compound notes
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