577698-43-2
4-(4-METHYL-5-((2-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
Name4-(4-METHYL-5-((2-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
1Identification
【Name】
4-(4-METHYL-5-((2-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE
【CAS】
【MDL】
MFCD04027779
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H16 N4 S
【pro_molWeight】
296.396
【Inchi】
InChI=1S/C16H16N4S/c1-12-5-3-4-6-14(12)11-21-16-19-18-15(20(16)2)13-7-9-17-10-8-13/h3-10H,11H2,1-2H3
【InChIKey】
InChIKey=CHACNDPGUHPQGS-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1CSc2nnc(n2C)c3ccncc3
【MOL File】
4-(4-METHYL-5-((2-ME….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-(4-METHYL-5-((2-METHYLBENZYL)THIO)-4H-1,2,4-TRIAZOL-3-YL)PYRIDINE.cml