538340-83-9
(3Z)-1-ALLYL-3-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONE
Name(3Z)-1-ALLYL-3-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONE
1Identification
【Name】
(3Z)-1-ALLYL-3-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONE
【CAS】
【MDL】
MFCD03497579
【English Synonyms】
【Formula】
C23 H18 N4 O3 S
【MolWeight】
430.486
【Inchi】
InChI=1S/C23H18N4O3S/c1-3-13-26-17-8-6-5-7-16(17)18(21(26)28)19-22(29)27-23(31-19)24-20(25-27)14-9-11-15(12-10-14)30-4-2/h3,5-12H,1,4,13H2,2H3/b19-18-
【InChIKey】
InChIKey=OWIXQBICDFOBMO-HNENSFHCSA-N
【SMILES】
CCOc1ccc(cc1)c2nc3n(n2)c(=O)/c(=C/4\c5ccccc5N(C4=O)CC=C)/s3
【MOL File】
(3Z)-1-ALLYL-3-(2-(4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3Z)-1-ALLYL-3-(2-(4-ETHOXYPHENYL)-6-OXO[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-5(6H)-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONE.cml