478256-00-7
4-((4-BROMOBENZYLIDENE)AMINO)-5-(3-METHYL-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
Name4-((4-BROMOBENZYLIDENE)AMINO)-5-(3-METHYL-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
pro_formulaC16 H13 Br N4 S
1Identification
【Name】
4-((4-BROMOBENZYLIDENE)AMINO)-5-(3-METHYL-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
【CAS】
【MDL】
MFCD01064575
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H13 Br N4 S
【pro_molWeight】
373.277
【Inchi】
InChI=1S/C16H13BrN4S/c1-11-3-2-4-13(9-11)15-19-20-16(22)21(15)18-10-12-5-7-14(17)8-6-12/h2-10H,1H3,(H,20,22)/b18-10+
【InChIKey】
InChIKey=XAPPHSXAHBGMSJ-VCHYOVAHSA-N
【SMILES】
Cc1cccc(c1)c2nnc(n2/N=C/c3ccc(cc3)Br)S
【MOL File】
4-((4-BROMOBENZYLIDE….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-((4-BROMOBENZYLIDENE)AMINO)-5-(3-METHYL-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE.cml