566144-84-1
2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[4-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)PHENYL]ACETAMIDE
Name2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[4-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)PHENYL]ACETAMIDE
1Identification
【Name】
2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[4-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)PHENYL]ACETAMIDE
【CAS】
【MDL】
MFCD04020928
【English Synonyms】
【Formula】
C24 H21 N5 O S3
【MolWeight】
491.662
【Inchi】
InChI=1S/C24H21N5OS3/c1-3-29-22(19-5-4-12-31-19)27-28-24(29)32-14-21(30)25-17-9-7-16(8-10-17)23-26-18-11-6-15(2)13-20(18)33-23/h4-13H,3,14H2,1-2H3,(H,25,30)
【InChIKey】
InChIKey=QVNHWQIBBFGYOY-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)c3nc4ccc(cc4s3)C)c5cccs5
【MOL File】
2-[[4-ETHYL-5-(2-THI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[4-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)PHENYL]ACETAMIDE.cml