66354-93-6
4-METHYL-2-PHENYL-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1H-INDOLE
Name4-METHYL-2-PHENYL-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1H-INDOLE
1Identification
【Name】
4-METHYL-2-PHENYL-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1H-INDOLE
【CAS】
【MDL】
MFCD01718684
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H15 N5 S
【pro_molWeight】
321.406
【Inchi】
InChI=1S/C17H15N5S/c1-11-6-5-9-13-15(11)17(23-10-14-19-21-22-20-14)16(18-13)12-7-3-2-4-8-12/h2-9,18H,10H2,1H3,(H,19,20,21,22)
【InChIKey】
InChIKey=BYPFYXAMEUFNCJ-UHFFFAOYSA-N
【SMILES】
Cc1cccc2c1c(c([nH]2)c3ccccc3)SCc4[nH]nnn4
【MOL File】
4-METHYL-2-PHENYL-3-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-METHYL-2-PHENYL-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1H-INDOLE.cml