538337-21-2
2-([4-ALLYL-5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE
Name2-([4-ALLYL-5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-([4-ALLYL-5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD05154832
【English Synonyms】
【Formula】
C22 H24 Cl N5 O S
【MolWeight】
441.985
【Inchi】
InChI=1S/C22H24ClN5OS/c1-4-11-28-20(13-24-19-10-6-9-18(23)16(19)3)26-27-22(28)30-14-21(29)25-17-8-5-7-15(2)12-17/h4-10,12,24H,1,11,13-14H2,2-3H3,(H,25,29)
【InChIKey】
InChIKey=VFTLFNZLMUSGEM-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)NC(=O)CSc2nnc(n2CC=C)CNc3cccc(c3C)Cl
【MOL File】
2-([4-ALLYL-5-[(3-CH….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-[(3-CHLORO-2-METHYLANILINO)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE.cml