54649-01-3
2,4-DIHYDRO-4-(2-METHOXYPHENYL)-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE
Name2,4-DIHYDRO-4-(2-METHOXYPHENYL)-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE
1Identification
【Name】
2,4-DIHYDRO-4-(2-METHOXYPHENYL)-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE
【CAS】
【MDL】
MFCD01678463
【English Synonyms】
【Formula】
C19 H18 N4 O S
【MolWeight】
350.444
【Inchi】
InChI=1S/C19H18N4OS/c1-12-14(13-7-3-4-8-15(13)20-12)11-18-21-22-19(25)23(18)16-9-5-6-10-17(16)24-2/h3-10,20H,11H2,1-2H3,(H,22,25)
【InChIKey】
InChIKey=VEAXWCJEAAUBNS-UHFFFAOYSA-N
【SMILES】
Cc1c(c2ccccc2[nH]1)Cc3n[nH]c(=S)n3c4ccccc4OC
【MOL File】
2,4-DIHYDRO-4-(2-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIHYDRO-4-(2-METHOXYPHENYL)-5-((2-METHYL-1H-INDOL-3-YL)METHYL)-3H-1,2,4-TRIAZOLE-3-THIONE.cml