Basic information
- CAS
335396-61-7- Standard SMILES
COc1ccccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C- InChIKey
QVRIIXSYQZZOIB-UHFFFAOYSA-N- Molecular formula
- C18H17BrN4O2S
- Average molar mass
- 433.3 g/mol
- Monoisotopic mass
- 432.02556
Names & identifiers
- Preferred name
- 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
- IUPAC
- 2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
- English name
- 2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
- Molecular formula
- C18H17BrN4O2S
- Molecular weight
- 433.32
Names & synonyms
2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamideCBKinase1_002766CBKinase1_015166STK139799AKOS000567841CCG-2033992-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamideST50263330AG-690/40753594BRD-K09008526-001-01-22-[5-(4-bromophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-(2-methoxyphenyl)acet amide335396-61-7
Show more names
Acetamide, 2-[[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)-
Database identifiers
- CAS
335396-61-7- PubChem CID
- 996306
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 464
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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