573705-53-0
N-(2-TERT-BUTYLPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2-TERT-BUTYLPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(2-TERT-BUTYLPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04018011
【English Synonyms】
【Formula】
C21 H25 N5 O S
【MolWeight】
395.529
【Inchi】
InChI=1S/C21H25N5OS/c1-5-26-19(15-9-8-12-22-13-15)24-25-20(26)28-14-18(27)23-17-11-7-6-10-16(17)21(2,3)4/h6-13H,5,14H2,1-4H3,(H,23,27)
【InChIKey】
InChIKey=VQUVVUCYGGHNBL-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccccc2C(C)(C)C)c3cccnc3
【MOL File】
N-(2-TERT-BUTYLPHENY….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-(2-TERT-BUTYLPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml