methyl N-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboximidothioate

HCID 66933488
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Basic information

Standard SMILES
COc1ccc(S(=O)(=O)N=C(SC)N2N=CCC2c2ccccc2)cc1
InChIKey
RIDYCPIPJPGNGZ-UHFFFAOYSA-N
Molecular formula
C18H19N3O3S2
Average molar mass
389.5 g/mol
Monoisotopic mass
389.08678382

Names & identifiers

Preferred name
methyl N-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboximidothioate
IUPAC
methyl N-(4-methoxyphenyl)sulfonyl-3-phenyl-3,4-dihydropyrazole-2-carboximidothioate

Names & synonyms

SCHEMBL1179207SCHEMBL1179208

Database identifiers

PubChem CID
66933488

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
105 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
26

Related reactions

1 records
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Compound notes

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