763124-76-1
2-[(4-CHLOROPHENYL)SULFANYL]-N-[4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]ACETAMIDE
Name2-[(4-CHLOROPHENYL)SULFANYL]-N-[4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]ACETAMIDE
1Identification
【Name】
2-[(4-CHLOROPHENYL)SULFANYL]-N-[4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]ACETAMIDE
【CAS】
【MDL】
MFCD05155049
【English Synonyms】
【Formula】
C16 H13 Cl N4 O S
【MolWeight】
344.825
【Inchi】
InChI=1S/C16H13ClN4OS/c17-12-1-7-15(8-2-12)23-9-16(22)20-13-3-5-14(6-4-13)21-11-18-10-19-21/h1-8,10-11H,9H2,(H,20,22)
【InChIKey】
InChIKey=UOWOOQRNUYJUGB-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1NC(=O)CSc2ccc(cc2)Cl)n3cncn3
【MOL File】
2-[(4-CHLOROPHENYL)S….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(4-CHLOROPHENYL)SULFANYL]-N-[4-(1H-1,2,4-TRIAZOL-1-YL)PHENYL]ACETAMIDE.cml