565446-72-2
N-[4-(AMINOSULFONYL)PHENYL]-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-[4-(AMINOSULFONYL)PHENYL]-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-[4-(AMINOSULFONYL)PHENYL]-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04015609
【English Synonyms】
【Formula】
C16 H17 N5 O3 S3
【MolWeight】
423.54
【Inchi】
InChI=1S/C16H17N5O3S3/c1-2-21-15(13-4-3-9-25-13)19-20-16(21)26-10-14(22)18-11-5-7-12(8-6-11)27(17,23)24/h3-9H,2,10H2,1H3,(H,18,22)(H2,17,23,24)
【InChIKey】
InChIKey=INAYTXPJLOLZPD-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)c3cccs3
【MOL File】
N-[4-(AMINOSULFONYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[4-(AMINOSULFONYL)PHENYL]-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml