538337-30-3
2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-1-PHENYLETHANONE
Name2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-1-PHENYLETHANONE
1Identification
【Name】
2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-1-PHENYLETHANONE
【CAS】
【MDL】
MFCD03129736
【English Synonyms】
【Formula】
C24 H21 N3 O S2
【MolWeight】
431.582
【Inchi】
InChI=1S/C24H21N3OS2/c1-18-12-14-21(15-13-18)29-17-23-25-26-24(27(23)20-10-6-3-7-11-20)30-16-22(28)19-8-4-2-5-9-19/h2-15H,16-17H2,1H3
【InChIKey】
InChIKey=RQDAPLHQQQVSSP-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)SCc2nnc(n2c3ccccc3)SCC(=O)c4ccccc4
【MOL File】
2-[(5-[[(4-METHYLPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-1-PHENYLETHANONE.cml