540498-19-9
2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(2,6-DIMETHYLPHENYL)ACETAMIDE
Name2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(2,6-DIMETHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-[(4-ALLYL-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(2,6-DIMETHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03494414
【English Synonyms】
【Formula】
C23 H26 N4 O S2
【MolWeight】
438.617
【Inchi】
InChI=1S/C23H26N4OS2/c1-5-13-27-20(14-29-19-11-9-16(2)10-12-19)25-26-23(27)30-15-21(28)24-22-17(3)7-6-8-18(22)4/h5-12H,1,13-15H2,2-4H3,(H,24,28)
【InChIKey】
InChIKey=ODWJMLVLFSNEIS-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)SCc2nnc(n2CC=C)SCC(=O)Nc3c(cccc3C)C
【MOL File】
2-[(4-ALLYL-5-[[(4-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
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-(2,6-DIMETHYLPHENYL)ACETAMIDE.cml