2-(4-nitrophenyl)-2-pyrimidin-2-ylsulfanyl-ethanoic acid

Systemtic Name: 2-(4-nitrophenyl)-2-pyrimidin-2-ylsulfanyl-ethanoic acid Openeye Name: 2-(4-nitrophenyl)-2-pyrimidin-2-ylsulfanyl-acetic acid CAS Name: 2-(4-nitrophenyl)-2-(2-pyrimidinylthio)acetic acid IUPAC Name: 2-(4-nitrophenyl)-2-pyrimidin-2-ylsulfanylacetic acid Traditional Name: 2-(4-nitrophenyl)-2-(2-pyrimidylthio)acetic acid Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)SC(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H9N3O4S/c16-11(17)10(20-12-13-6-1-7-14-12)8-2-4-9(5-3-8)15(18)19/h1-7,10H,(H,16,17)