1-[3-(2-furanyl)-7-(2-furanylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]ethanone

Properties Image MNX_ID MNXM340933 reference chebi:115690 formula C21H21N5O3S global charge 0 mol weight 423.498 InChIKey XSOOYTWLQLUBLV-UHFFFAOYSA-N InChI InChI=1S/C21H21N5O3S/c1-25-13-22-23-21(25)30-12-18(27)26-20(17-8-4-10-29-17)16-7-2-5-14(19(16)24-26)11-15-6-3-9-28-15/h3-4,6,8-11,13,16,20H,2,5,7,12H2,1H3 SMILES CN1C=NN=C1SCC(=O)N1N=C2C(=CC3=CC=CO3)CCCC2C1C1=CC=CO1 MNX internals InChI (mnx) InChI=1/C21H21N5O3S/c1-25-13-22-23-21(25)30-12-18(27)26-20(17-8-4-10-29-17)16-7-2-5-14(19(16)24-26)11-15-6-3-9-28-15/h3-4,6,8-11,13,16,20H,2,5,7,12H2,1H3/b14-11?/t16?,20? SMILES (mnx) [CH3:1][N:25]1[CH:13]=[N:22][N:23]=[C:21]1[S:30][CH2:12][C:18]([N:26]1[CH:20]([C:17]2=[CH:8][CH:4]=[CH:10][O:29]2)[CH:16]2[CH2:7][CH2:2][CH2:5][C:14](=[CH:11][C:15]3=[CH:6][CH:3]=[CH:9][O:28]3)[C:19]2=[N:24]1)=[O:27]

Parent-child relations graph

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