331269-06-8
3-((3,4-DIMETHOXYPHENYL)METHYL)-4-PHENYL-1,2,4-TRIAZOLINE-5-THIONE
Name3-((3,4-DIMETHOXYPHENYL)METHYL)-4-PHENYL-1,2,4-TRIAZOLINE-5-THIONE
pro_formulaC17 H17 N3 O2 S
1Identification
【Name】
3-((3,4-DIMETHOXYPHENYL)METHYL)-4-PHENYL-1,2,4-TRIAZOLINE-5-THIONE
【CAS】
【MDL】
MFCD00170386
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H17 N3 O2 S
【pro_molWeight】
327.406
【Inchi】
InChI=1S/C17H17N3O2S/c1-21-14-9-8-12(10-15(14)22-2)11-16-18-19-17(23)20(16)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,23)
【InChIKey】
InChIKey=UDNDNPRLQAKKQU-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1OC)Cc2n[nH]c(=S)n2c3ccccc3
【MOL File】
3-((3,4-DIMETHOXYPHE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-((3,4-DIMETHOXYPHENYL)METHYL)-4-PHENYL-1,2,4-TRIAZOLINE-5-THIONE.cml