2-{[5-(2-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
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Basic information
- CAS
694455-49-7- Standard SMILES
COc1ccc(C(=O)CSc2nnc(-c3ccccc3O)n2C)cc1- InChIKey
QOCPXECXPNNFGY-UHFFFAOYSA-N- Molecular formula
- C18H17N3O3S
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.09906259
Names & identifiers
- Preferred name
- 2-{[5-(2-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
- IUPAC
- 2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
- English name
- 2-{[5-(2-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
- Molecular formula
- C18H17N3O3S
- Molecular weight
- 355.41088
Names & synonyms
694455-49-72-((5-(2-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone2-[[5-(2-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone2-{[5-(2-hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanoneCBKinase1_003967CBKinase1_016367AKOS0033456572-((5-(2-Hydroxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethan-1-oneST50427116AO-080/41818325SR-01000267812SR-01000267812-1
Show more names
BRD-K75122476-001-01-0
Database identifiers
- CAS
694455-49-7- PubChem CID
- 1287139
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
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Compound notes
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