539809-55-7
2-([5-[(3,4-DICHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2-METHYLPHENYL)ACETAMIDE
Name2-([5-[(3,4-DICHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2-METHYLPHENYL)ACETAMIDE
FormulaC24 H21 Cl2 N5 O S
1Identification
【Name】
2-([5-[(3,4-DICHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460778
【English Synonyms】
【Formula】
C24 H21 Cl2 N5 O S
【MolWeight】
498.436
【Inchi】
InChI=1S/C24H21Cl2N5OS/c1-16-7-5-6-10-21(16)28-23(32)15-33-24-30-29-22(31(24)18-8-3-2-4-9-18)14-27-17-11-12-19(25)20(26)13-17/h2-13,27H,14-15H2,1H3,(H,28,32)
【InChIKey】
InChIKey=HRKABOVRORJUDY-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1NC(=O)CSc2nnc(n2c3ccccc3)CNc4ccc(c(c4)Cl)Cl
【MOL File】
2-([5-[(3,4-DICHLORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([5-[(3,4-DICHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2-METHYLPHENYL)ACETAMIDE.cml