539809-78-4
N-(2-METHYLPHENYL)-2-([4-PHENYL-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
NameN-(2-METHYLPHENYL)-2-([4-PHENYL-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
1Identification
【Name】
N-(2-METHYLPHENYL)-2-([4-PHENYL-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
【CAS】
【MDL】
MFCD05154903
【English Synonyms】
【Formula】
C24 H22 N4 O S2
【MolWeight】
446.597
【Inchi】
InChI=1S/C24H22N4OS2/c1-18-10-8-9-15-21(18)25-23(29)17-31-24-27-26-22(16-30-20-13-6-3-7-14-20)28(24)19-11-4-2-5-12-19/h2-15H,16-17H2,1H3,(H,25,29)
【InChIKey】
InChIKey=JZIYPONFUUGILY-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1NC(=O)CSc2nnc(n2c3ccccc3)CSc4ccccc4
【MOL File】
N-(2-METHYLPHENYL)-2….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
N-(2-METHYLPHENYL)-2-([4-PHENYL-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE.cml