539809-44-4
2-([5-[(3-CHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2-METHYLPHENYL)ACETAMIDE
Name2-([5-[(3-CHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2-METHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-([5-[(3-CHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD01432625
【English Synonyms】
【Formula】
C24 H22 Cl N5 O S
【MolWeight】
463.991
【Inchi】
InChI=1S/C24H22ClN5OS/c1-17-8-5-6-13-21(17)27-23(31)16-32-24-29-28-22(30(24)20-11-3-2-4-12-20)15-26-19-10-7-9-18(25)14-19/h2-14,26H,15-16H2,1H3,(H,27,31)
【InChIKey】
InChIKey=PKEOQAAYBCVFQK-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1NC(=O)CSc2nnc(n2c3ccccc3)CNc4cccc(c4)Cl
【MOL File】
2-([5-[(3-CHLOROANIL….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-([5-[(3-CHLOROANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(2-METHYLPHENYL)ACETAMIDE.cml