573933-57-0
2-((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2-BR-PH)ACETAMIDE
Name2-((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2-BR-PH)ACETAMIDE
1Identification
【Name】
2-((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2-BR-PH)ACETAMIDE
【CAS】
【MDL】
MFCD04019837
【English Synonyms】
【Formula】
C18 H16 Br N5 O S
【MolWeight】
430.328
【Inchi】
InChI=1S/C18H16BrN5OS/c1-2-11-24-17(15-9-5-6-10-20-15)22-23-18(24)26-12-16(25)21-14-8-4-3-7-13(14)19/h2-10H,1,11-12H2,(H,21,25)
【InChIKey】
InChIKey=RMLIBXCHEWALHZ-UHFFFAOYSA-N
【SMILES】
C=CCn1c(nnc1SCC(=O)Nc2ccccc2Br)c3ccccn3
【MOL File】
2-((4-ALLYL-5-(2-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(2-BR-PH)ACETAMIDE.cml