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

Systemtic Name: 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(4-nitrophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5S/c22-16(23)11-27-17-19-18-15(20(17)12-4-2-1-3-5-12)10-26-14-8-6-13(7-9-14)21(24)25/h1-9H,10-11H2,(H,22,23)