compound 0063431

Properties Image MNX_ID MNXM1193235 reference envipathM:...136e151a3bcf formula C14H15Cl2N3O3S global charge 0 mol weight 376.265 InChIKey XNDDIZZCWWQRFA-UHFFFAOYSA-N InChI InChI=1S/C14H15Cl2N3O3S/c15-9-4-2-1-3-8(9)11(21)14(22,13(16)5-10(13)20)6-19-12(23)17-7-18-19/h1-4,7,10-11,20-22H,5-6H2,(H,17,18,23) SMILES OC(C1=C(Cl)C=CC=C1)C(O)(CN1N=CNC1=S)C1(Cl)CC1O MNX internals InChI (mnx) InChI=1/C14H15Cl2N3O3S/c15-9-4-2-1-3-8(9)11(21)14(22,13(16)5-10(13)20)6-19-12(23)17-7-18-19/h1-4,7,10-11,20-22H,5-6H2,(H,17,18,23)/t10?,11?,13?,14? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:9]([Cl:15])[C:8]([CH:11]([C:14]([CH2:6][N:19]2[C:12](=[S:23])[N:17]=[CH:7][NH:18]2)([C:13]2([Cl:16])[CH2:5][CH:10]2[OH:20])[OH:22])[OH:21])=[CH:3]1

Parent-child relations graph

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