1-benzothiophene-3-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

Properties Image MNX_ID MNXM343342 reference chebi:92616 formula C25H16N2O3S2 global charge 0 mol weight 456.548 InChIKey JAIZDBKKNQHJBT-UHFFFAOYSA-N InChI InChI=1S/C25H16N2O3S2/c28-24(21-16-32-22-13-4-3-11-19(21)22)29-14-5-6-15-31-25-27-26-23(30-25)20-12-7-9-17-8-1-2-10-18(17)20/h1-4,7-13,16H,14-15H2 SMILES O=C(OCC#CCSC1=NN=C(C2=CC=CC3=CC=CC=C32)O1)C1=CSC2=CC=CC=C21 MNX internals InChI (mnx) InChI=1/C25H16N2O3S2/c28-24(21-16-32-22-13-4-3-11-19(21)22)29-14-5-6-15-31-25-27-26-23(30-25)20-12-7-9-17-8-1-2-10-18(17)20/h1-4,7-13,16H,14-15H2 SMILES (mnx) [CH:1]1=[CH:2][CH:10]=[C:18]2[C:17](=[CH:8]1)[CH:9]=[CH:7][CH:12]=[C:20]2[C:23]1=[N:26][N:27]=[C:25]([S:31][CH2:15][C:6]#[C:5][CH2:14][O:29][C:24]([C:21]2=[CH:16][S:32][C:22]3=[CH:13][CH:4]=[CH:3][CH:11]=[C:19]23)=[O:28])[O:30]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0