539811-15-9
N-(3-CHLORO-2-METHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
NameN-(3-CHLORO-2-METHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
FormulaC26 H25 Cl N4 O S2
1Identification
【Name】
N-(3-CHLORO-2-METHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03765067
【English Synonyms】
【Formula】
C26 H25 Cl N4 O S2
【MolWeight】
509.095
【Inchi】
InChI=1S/C26H25ClN4OS2/c1-17-10-12-21(13-11-17)33-15-24-29-30-26(31(24)20-7-4-6-18(2)14-20)34-16-25(32)28-23-9-5-8-22(27)19(23)3/h4-14H,15-16H2,1-3H3,(H,28,32)
【InChIKey】
InChIKey=ZFXNOIYDIAAQEZ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)SCc2nnc(n2c3cccc(c3)C)SCC(=O)Nc4cccc(c4C)Cl
【MOL File】
N-(3-CHLORO-2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3-CHLORO-2-METHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE.cml