585553-85-1
N-(3-BR-PH)-2-((4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
NameN-(3-BR-PH)-2-((4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
1Identification
【Name】
N-(3-BR-PH)-2-((4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
【CAS】
【MDL】
MFCD04030089
【English Synonyms】
【Formula】
C17 H16 Br N5 O S
【MolWeight】
418.317
【Inchi】
InChI=1S/C17H16BrN5OS/c1-2-23-16(12-5-4-8-19-10-12)21-22-17(23)25-11-15(24)20-14-7-3-6-13(18)9-14/h3-10H,2,11H2,1H3,(H,20,24)
【InChIKey】
InChIKey=RQGVOICTWCIOID-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cccc(c2)Br)c3cccnc3
【MOL File】
N-(3-BR-PH)-2-((4-ET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3-BR-PH)-2-((4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE.cml