540774-99-0
2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(3-METHYLPHENYL)ACETAMIDE
Name2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(3-METHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(3-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD05154921
【English Synonyms】
【Formula】
C22 H24 N4 O S2
【MolWeight】
424.591
【Inchi】
InChI=1S/C22H24N4OS2/c1-4-12-26-20(14-28-19-10-8-16(2)9-11-19)24-25-22(26)29-15-21(27)23-18-7-5-6-17(3)13-18/h4-11,13H,1,12,14-15H2,2-3H3,(H,23,27)
【InChIKey】
InChIKey=LWBJCMBYRKIYSP-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)SCc2nnc(n2CC=C)SCC(=O)Nc3cccc(c3)C
【MOL File】
2-[(4-ALLYL-5-[[(4-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
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-METHYLPHENYL)ACETAMIDE.cml