585551-57-1
N-(9-ETHYL-9H-CARBAZOL-3-YL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(9-ETHYL-9H-CARBAZOL-3-YL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(9-ETHYL-9H-CARBAZOL-3-YL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04028086
【English Synonyms】
【Formula】
C25 H24 N6 O S
【MolWeight】
456.572
【Inchi】
InChI=1S/C25H24N6OS/c1-3-30-21-8-6-5-7-19(21)20-15-18(9-10-22(20)30)27-23(32)16-33-25-29-28-24(31(25)4-2)17-11-13-26-14-12-17/h5-15H,3-4,16H2,1-2H3,(H,27,32)
【InChIKey】
InChIKey=JKKRCMXSNDCWIA-UHFFFAOYSA-N
【SMILES】
CCn1c2ccccc2c3c1ccc(c3)NC(=O)CSc4nnc(n4CC)c5ccncc5
【MOL File】
N-(9-ETHYL-9H-CARBAZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(9-ETHYL-9H-CARBAZOL-3-YL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml