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

Systemtic Name: 3-[[4-azanyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-amino-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C11H11N5O4S MolecularWeight: 309.30114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(N2N)SCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(N2N)SCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O4S/c12-15-10(7-1-3-8(4-2-7)16(19)20)13-14-11(15)21-6-5-9(17)18/h1-4H,5-6,12H2,(H,17,18)