585550-72-7
2-([4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-ISOPROPYLPHENYL)ACETAMIDE
Name2-([4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-ISOPROPYLPHENYL)ACETAMIDE
1Identification
【Name】
2-([4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-ISOPROPYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04028041
【English Synonyms】
【Formula】
C20H23N5OS
【MolWeight】
381.502
【Inchi】
InChI=1S/C20H23N5OS/c1-4-25-19(16-9-11-21-12-10-16)23-24-20(25)27-13-18(26)22-17-7-5-15(6-8-17)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,26)
【InChIKey】
InChIKey=PCWGZEKPFQTIOC-UHFFFAOYSA-N
【SMILES】
C(C)N1C(=NN=C1C1=CC=NC=C1)SCC(=O)NC1=CC=C(C=C1)C(C)C
【MOL File】
2-([4-ETHYL-5-(4-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.72
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-ISOPROPYLPHENYL)ACETAMIDE.cml