Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

H1F

Summary
Name:5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide
Formula:C19 H21 N3 O3 S
Formal charge:0
Formula weight:371.453 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H21N3O3S/c1-23-16-9-13(10-17(24-2)18(16)25-3)15-11-14(21-22(15)19(20)26)12-7-5-4-6-8-12/h4-10,15H,11H2,1-3H3,(H2,20,26)
InChIKeyInChI1.03GONIBFCARADPAC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cc(cc(OC)c1OC)[C@@H]2CC(=NN2C(N)=S)c3ccccc3
SMILESCACTVS3.385COc1cc(cc(OC)c1OC)[CH]2CC(=NN2C(N)=S)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1cc(cc(c1OC)OC)C2CC(=NN2C(=S)N)c3ccccc3
SMILESOpenEye OEToolkits2.0.7COc1cc(cc(c1OC)OC)C2CC(=NN2C(=S)N)c3ccccc3

222415

數據於2024-07-10公開中

PDB statisticsPDBj update infoContact PDBjnumon