482639-63-4
N-(2,3-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2,3-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(2,3-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD02227081
【English Synonyms】
【Formula】
C19 H21 N5 O S
【MolWeight】
367.475
【Inchi】
InChI=1S/C19H21N5OS/c1-4-24-18(15-8-10-20-11-9-15)22-23-19(24)26-12-17(25)21-16-7-5-6-13(2)14(16)3/h5-11H,4,12H2,1-3H3,(H,21,25)
【InChIKey】
InChIKey=KEFFTUFDTCPVMB-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cccc(c2C)C)c3ccncc3
【MOL File】
N-(2,3-DIMETHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2,3-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml