557065-47-1
N-(2-ETHYL-6-METHYLPHENYL)-2-([4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
NameN-(2-ETHYL-6-METHYLPHENYL)-2-([4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
1Identification
【Name】
N-(2-ETHYL-6-METHYLPHENYL)-2-([4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
【CAS】
【MDL】
MFCD03429491
【English Synonyms】
【Formula】
C20 H23 N5 O S
【MolWeight】
381.502
【Inchi】
InChI=1S/C20H23N5OS/c1-4-15-9-6-8-14(3)18(15)22-17(26)13-27-20-24-23-19(25(20)5-2)16-10-7-11-21-12-16/h6-12H,4-5,13H2,1-3H3,(H,22,26)
【InChIKey】
InChIKey=LWWADMHSTAQYIL-UHFFFAOYSA-N
【SMILES】
CCc1cccc(c1NC(=O)CSc2nnc(n2CC)c3cccnc3)C
【MOL File】
N-(2-ETHYL-6-METHYLP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-ETHYL-6-METHYLPHENYL)-2-([4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE.cml