539810-18-9
N-(3-METHYLPHENYL)-2-([4-PHENYL-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
NameN-(3-METHYLPHENYL)-2-([4-PHENYL-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
1Identification
【Name】
N-(3-METHYLPHENYL)-2-([4-PHENYL-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460846
【English Synonyms】
【Formula】
C24 H22 N4 O S2
【MolWeight】
446.597
【Inchi】
InChI=1S/C24H22N4OS2/c1-18-9-8-10-19(15-18)25-23(29)17-31-24-27-26-22(16-30-21-13-6-3-7-14-21)28(24)20-11-4-2-5-12-20/h2-15H,16-17H2,1H3,(H,25,29)
【InChIKey】
InChIKey=XWWASBXWCGSZIV-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)NC(=O)CSc2nnc(n2c3ccccc3)CSc4ccccc4
【MOL File】
N-(3-METHYLPHENYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3-METHYLPHENYL)-2-([4-PHENYL-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETAMIDE.cml