587013-20-5
3-BROMOBENZYL 4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL SULFIDE
Name3-BROMOBENZYL 4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL SULFIDE
1Identification
【Name】
3-BROMOBENZYL 4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL SULFIDE
【CAS】
【MDL】
MFCD04034301
【English Synonyms】
【Formula】
C16 H15 Br N4 S
【MolWeight】
375.293
【Inchi】
InChI=1S/C16H15BrN4S/c1-2-21-15(14-8-3-4-9-18-14)19-20-16(21)22-11-12-6-5-7-13(17)10-12/h3-10H,2,11H2,1H3
【InChIKey】
InChIKey=HKMNPRUZEWRESI-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCc2cccc(c2)Br)c3ccccn3
【MOL File】
3-BROMOBENZYL 4-ETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-BROMOBENZYL 4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL SULFIDE.cml