575459-15-3
2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-ISOPROPYLPHENYL)ACETAMIDE
Name2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-ISOPROPYLPHENYL)ACETAMIDE
1Identification
【Name】
2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-ISOPROPYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04026486
【English Synonyms】
【Formula】
C20 H23 N5 O S
【MolWeight】
381.502
【Inchi】
InChI=1S/C20H23N5OS/c1-4-25-19(17-7-5-6-12-21-17)23-24-20(25)27-13-18(26)22-16-10-8-15(9-11-16)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,26)
【InChIKey】
InChIKey=ZQLTXCJHGBRACG-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(C)C)c3ccccn3
【MOL File】
2-[[4-ETHYL-5-(2-PYR….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
2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-ISOPROPYLPHENYL)ACETAMIDE.cml