573931-96-1
N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04019682
【English Synonyms】
【Formula】
C19 H20 Cl N5 O S
【MolWeight】
401.92
【Inchi】
InChI=1S/C19H20ClN5OS/c1-4-25-18(14-6-5-7-21-10-14)23-24-19(25)27-11-16(26)22-17-13(3)8-12(2)9-15(17)20/h5-10H,4,11H2,1-3H3,(H,22,26)
【InChIKey】
InChIKey=ZCUKFHQGJHVXED-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2c(cc(cc2Cl)C)C)c3cccnc3
【MOL File】
N-(2-CHLORO-4,6-DIME….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
N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml