3-nitro-4-phenyl-5-(pyridin-2-ylmethylsulfanyl)benzoic acid

Systemtic Name: 3-nitro-4-phenyl-5-(pyridin-2-ylmethylsulfanyl)benzoic acid Openeye Name: 3-nitro-4-phenyl-5-(2-pyridylmethylsulfanyl)benzoic acid CAS Name: 3-nitro-4-phenyl-5-(2-pyridinylmethylthio)benzoic acid IUPAC Name: 3-nitro-4-phenyl-5-(pyridin-2-ylmethylsulfanyl)benzoic acid Traditional Name: 3-nitro-4-phenyl-5-(2-pyridylmethylthio)benzoic acid Formula: C19H14N2O4S MolecularWeight: 366.39046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2SCC3=CC=CC=N3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2SCC3=CC=CC=N3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O4S/c22-19(23)14-10-16(21(24)25)18(13-6-2-1-3-7-13)17(11-14)26-12-15-8-4-5-9-20-15/h1-11H,12H2,(H,22,23)