benzoyl-pyrrothine

Properties Image MNX_ID MNXM148100 reference metacycM:CPD-17937 formula C13H10N2O2S2 global charge 0 mol weight 290.369 InChIKey VQVYTYBHAGLZNJ-UHFFFAOYSA-N InChI InChI=1S/C13H10N2O2S2/c1-15-9-7-18-19-11(9)10(13(15)17)14-12(16)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16) SMILES CN1C(=O)C(NC(=O)C2=CC=CC=C2)=C2SSC=C21 MNX internals InChI (mnx) InChI=1/C13H10N2O2S2/c1-15-9-7-18-19-11(9)10(13(15)17)14-12(16)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,16) SMILES (mnx) [CH3:1][N:15]1[C:9]2=[CH:7][S:18][S:19][C:11]2=[C:10]([N:14]=[C:12]([C:8]2=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]2)[OH:16])[C:13]1=[O:17]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0