538336-60-6
N-ISOPROPYL-2-[[4-(3-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-PHENYLACETAMIDE
NameN-ISOPROPYL-2-[[4-(3-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-PHENYLACETAMIDE
1Identification
【Name】
N-ISOPROPYL-2-[[4-(3-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-PHENYLACETAMIDE
【CAS】
【MDL】
MFCD03460991
【English Synonyms】
【Formula】
C26 H26 N4 O S
【MolWeight】
442.584
【Inchi】
InChI=1S/C26H26N4OS/c1-19(2)29(22-14-8-5-9-15-22)24(31)18-32-26-28-27-25(21-12-6-4-7-13-21)30(26)23-16-10-11-20(3)17-23/h4-17,19H,18H2,1-3H3
【InChIKey】
InChIKey=HFQWDCZWEXXWOZ-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)n2c(nnc2SCC(=O)N(c3ccccc3)C(C)C)c4ccccc4
【MOL File】
N-ISOPROPYL-2-[[4-(3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-ISOPROPYL-2-[[4-(3-METHYLPHENYL)-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-PHENYLACETAMIDE.cml