Basic information
- Standard SMILES
COc1ccc(N2N=C(N)CC2c2ccc(SC)cc2)cc1C#N- InChIKey
LJIQCXKPBJBEQQ-UHFFFAOYSA-N- Molecular formula
- C18H18N4OS
- Average molar mass
- 338.4 g/mol
Names & identifiers
- Preferred name
- 1-(3-Cyano-4-methoxyphenyl)-5-[4-(methylthio)phenyl]-2-pyrazoline-3-amine
- IUPAC
- 5-[5-amino-3-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]-2-methoxybenzonitrile
Names & synonyms
SCHEMBL7867855LJIQCXKPBJBEQQ-UHFFFAOYSA-N1-(3-cyano-4-methoxyphenyl)-5-[4-(methylthio)phenyl]-2-pyrazoline-3-amine1-(3-cyano-4-methoxyphenyl)-5-[4-(methylthio)-phenyl]-2-pyrazoline-3-amine
Database identifiers
- PubChem CID
- 18355404
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 508
Related reactions
2 records
Compound notes
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