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2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid

Properties Image MNX_ID MNXM1378715 reference chebi:194268 formula C16H14N4O2S global charge 0 mol weight 326.381 InChIKey XCJSJYYPXUCHEM-UHFFFAOYSA-N InChI InChI=1S/C16H14N4O2S/c21-14(22)11-23-16-19-18-15(17-12-7-3-1-4-8-12)20(16)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,18)(H,21,22) SMILES O=C(O)CSc1nnc(Nc2ccccc2)n1-c1ccccc1 MNX internals InChI (mnx) InChI=1/C16H14N4O2S/c21-14(22)11-23-16-19-18-15(17-12-7-3-1-4-8-12)20(16)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,18)(H,21,22) SMILES (mnx) [CH2:1]([C:10]1=[CH:7][CH:6]=[C:9]([CH2:5][C:11]2=[CH:16][N:19]=[O:22][N:20]=[N:17]2)[CH:4]1[c:8]1[cH:12][cH:14][n:18][cH:15][cH:13]1)[O:21][S:23]([CH3:2])=[CH2:3]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:194268 chebi:194268 XCJSJYYPXUCHEM-UHFFFAOYSA-N	2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid 2-[(5-anilino-4-phenyl-1,2,4-triazol-3-yl)sulanyl]acetic acid