540775-01-7
2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(3-METHOXYPHENYL)ACETAMIDE
Name2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(3-METHOXYPHENYL)ACETAMIDE
1Identification
【Name】
2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(3-METHOXYPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD05154922
【English Synonyms】
【Formula】
C22 H24 N4 O2 S2
【MolWeight】
440.59
【Inchi】
InChI=1S/C22H24N4O2S2/c1-4-12-26-20(14-29-19-10-8-16(2)9-11-19)24-25-22(26)30-15-21(27)23-17-6-5-7-18(13-17)28-3/h4-11,13H,1,12,14-15H2,2-3H3,(H,23,27)
【InChIKey】
InChIKey=HWOQMAGDYDGPDX-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)SCc2nnc(n2CC=C)SCC(=O)Nc3cccc(c3)OC
【MOL File】
2-[(4-ALLYL-5-[[(4-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(3-METHOXYPHENYL)ACETAMIDE.cml