578755-91-6
N-[4-(AMINOSULFONYL)PHENYL]-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-[4-(AMINOSULFONYL)PHENYL]-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-[4-(AMINOSULFONYL)PHENYL]-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04025217
【English Synonyms】
【Formula】
C17 H18 N6 O3 S2
【MolWeight】
418.5
【Inchi】
InChI=1S/C17H18N6O3S2/c1-2-23-16(12-7-9-19-10-8-12)21-22-17(23)27-11-15(24)20-13-3-5-14(6-4-13)28(18,25)26/h3-10H,2,11H2,1H3,(H,20,24)(H2,18,25,26)
【InChIKey】
InChIKey=PXTBFFZUTNFNSC-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)c3ccncc3
【MOL File】
N-[4-(AMINOSULFONYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[4-(AMINOSULFONYL)PHENYL]-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml