66403-52-9
5-METHOXY-2-PHENYL-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1H-INDOLE
Name5-METHOXY-2-PHENYL-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1H-INDOLE
pro_formulaC17 H15 N5 O S
1Identification
【Name】
5-METHOXY-2-PHENYL-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1H-INDOLE
【CAS】
【MDL】
MFCD01718653
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H15 N5 O S
【pro_molWeight】
337.405
【Inchi】
InChI=1S/C17H15N5OS/c1-23-12-7-8-14-13(9-12)17(24-10-15-19-21-22-20-15)16(18-14)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,20,21,22)
【InChIKey】
InChIKey=WEQMYCFJMCFAAT-UHFFFAOYSA-N
【SMILES】
COc1ccc2c(c1)c(c([nH]2)c3ccccc3)SCc4[nH]nnn4
【MOL File】
5-METHOXY-2-PHENYL-3….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
5-METHOXY-2-PHENYL-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1H-INDOLE.cml