Metsulfovax

Properties Image MNX_ID MNXM61988 reference chebi:82075 formula C12H12N2OS global charge 0 mol weight 232.308 InChIKey UDSJPFPDKCMYBD-UHFFFAOYSA-N InChI InChI=1S/C12H12N2OS/c1-8-11(16-9(2)13-8)12(15)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15) SMILES CC1=NC(C)=C(C(=O)NC2=CC=CC=C2)S1 MNX internals InChI (mnx) InChI=1/C12H12N2OS/c1-8-11(16-9(2)13-8)12(15)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15) SMILES (mnx) [CH3:1][C:8]1=[C:11]([C:12](=[N:14][C:10]2=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]2)[OH:15])[S:16][C:9]([CH3:2])=[N:13]1

Parent-child relations graph

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