585553-73-7
N-(3-CHLORO-4-METHOXYPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(3-CHLORO-4-METHOXYPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
FormulaC18 H18 Cl N5 O2 S
1Identification
【Name】
N-(3-CHLORO-4-METHOXYPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04030086
【English Synonyms】
【Formula】
C18 H18 Cl N5 O2 S
【MolWeight】
403.892
【Inchi】
InChI=1S/C18H18ClN5O2S/c1-3-24-17(12-6-8-20-9-7-12)22-23-18(24)27-11-16(25)21-13-4-5-15(26-2)14(19)10-13/h4-10H,3,11H2,1-2H3,(H,21,25)
【InChIKey】
InChIKey=SHDJTFSMINWESX-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)Cl)OC)c3ccncc3
【MOL File】
N-(3-CHLORO-4-METHOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3-CHLORO-4-METHOXYPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml