538337-53-0
2-([4-ALLYL-5-[(2,6-DIMETHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE
Name2-([4-ALLYL-5-[(2,6-DIMETHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-([4-ALLYL-5-[(2,6-DIMETHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03765239
【English Synonyms】
【Formula】
C23 H27 N5 O S
【MolWeight】
421.566
【Inchi】
InChI=1S/C23H27N5OS/c1-5-12-28-20(14-24-22-17(3)9-7-10-18(22)4)26-27-23(28)30-15-21(29)25-19-11-6-8-16(2)13-19/h5-11,13,24H,1,12,14-15H2,2-4H3,(H,25,29)
【InChIKey】
InChIKey=GTCUJNPMIYYXBT-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)NC(=O)CSc2nnc(n2CC=C)CNc3c(cccc3C)C
【MOL File】
2-([4-ALLYL-5-[(2,6-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([4-ALLYL-5-[(2,6-DIMETHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE.cml