566881-55-8
N-(4-CHLORO-2-METHOXY-5-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(4-CHLORO-2-METHOXY-5-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
FormulaC18 H19 Cl N4 O2 S2
1Identification
【Name】
N-(4-CHLORO-2-METHOXY-5-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04033489
【English Synonyms】
【Formula】
C18 H19 Cl N4 O2 S2
【MolWeight】
422.959
【Inchi】
InChI=1S/C18H19ClN4O2S2/c1-4-23-17(15-6-5-7-26-15)21-22-18(23)27-10-16(24)20-13-8-11(2)12(19)9-14(13)25-3/h5-9H,4,10H2,1-3H3,(H,20,24)
【InChIKey】
InChIKey=COLJFNIRXNKEGU-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cc(c(cc2OC)Cl)C)c3cccs3
【MOL File】
N-(4-CHLORO-2-METHOX….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-(4-CHLORO-2-METHOXY-5-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml