2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butan-2-ylphenyl)acetamide

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Basic information

CAS: 298217-93-3
Standard SMILES: CCC(C)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)cc1
InChIKey: MCIAMVVNWPELTR-UHFFFAOYSA-N
Molecular formula: C22H26N4OS
Average molar mass: 394.5 g/mol
Monoisotopic mass: 394.18273264

Names & identifiers

Preferred name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butan-2-ylphenyl)acetamide
IUPAC: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butan-2-ylphenyl)acetamide

Names & synonyms

298217-93-32-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butan-2-ylphenyl)acetamide2-(5-METHYL-4-BENZYL(2,3,5-TRIAZOLYLTHIO))-N-(4-(METHYLPROPYL)PHENYL)ETHANAMIDE2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(butan-2-yl)phenyl]acetamide2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(sec-butyl)phenyl]acetamide2-((5-Benzyl-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-sec-butylphenyl)acetamideMFCD00834820Oprea1_708611MCIAMVVNWPELTR-UHFFFAOYSA-NDTXSID501371566AKOS005105897JS-1042

Show more names

FM170032ST019156AA-768/332440232-((5-Benzyl-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(sec-butyl)phenyl)acetamide2-(5-methyl-4-benzyl(2,3,5-triazolylthio))-N-(4-(sec-butyl)phenyl)acetamide2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sec-butylphenyl)acetamide2-[(5-benzyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sec-butylphenyl)acetamide2-[4-methyl-5-benzyl(1,2,4-triazol-3-ylthio)]-N-[4-(methylpropyl)phenyl]acetam ide

Database identifiers

CAS: 298217-93-3
PubChem CID: 3940126
DTXSID: DTXSID501371566

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 85.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 477

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Compound notes

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