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

Systemtic Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]propionic acid Formula: C13H14N4O5S MolecularWeight: 338.33906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5S/c1-8(12(18)19)23-13-15-14-11(16(13)2)7-22-10-5-3-9(4-6-10)17(20)21/h3-6,8H,7H2,1-2H3,(H,18,19)