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

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

CC(C(=O)O)SC1=NN=C(N1N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H11N5O4S/c1-6(10(17)18)21-11-14-13-9(15(11)12)7-2-4-8(5-3-7)16(19)20/h2-6H,12H2,1H3,(H,17,18)