54649-05-7
2,4-DIHYDRO-4-(4-IODOPHENYL)-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE
Name2,4-DIHYDRO-4-(4-IODOPHENYL)-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE
1Identification
【Name】
2,4-DIHYDRO-4-(4-IODOPHENYL)-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE
【CAS】
【MDL】
MFCD01678458
【English Synonyms】
【Formula】
C18 H15 I N4 S
【MolWeight】
446.31
【Inchi】
InChI=1S/C18H15IN4S/c1-11-15(14-4-2-3-5-16(14)20-11)10-17-21-22-18(24)23(17)13-8-6-12(19)7-9-13/h2-9,20H,10H2,1H3,(H,22,24)
【InChIKey】
InChIKey=AJWMIUGKGODHHJ-UHFFFAOYSA-N
【SMILES】
Cc1c(c2ccccc2[nH]1)Cc3n[nH]c(=S)n3c4ccc(cc4)I
【MOL File】
2,4-DIHYDRO-4-(4-IOD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIHYDRO-4-(4-IODOPHENYL)-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE.cml