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

Systemtic Name: 3-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4S/c1-15-11(8-2-4-9(5-3-8)16(19)20)13-14-12(15)21-7-6-10(17)18/h2-5H,6-7H2,1H3,(H,17,18)