2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(4-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C)C2=CC=C(C=C2)N

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H14N4O2S/c1-7(11(17)18)19-12-15-14-10(16(12)2)8-3-5-9(13)6-4-8/h3-7H,13H2,1-2H3,(H,17,18)