(3-nitrophenyl) 2-[(2-fluorophenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (3-nitrophenyl) 2-[(2-fluorophenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (3-nitrophenyl) 2-[(2-fluorophenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(2-fluorophenyl)methylthio]-3-pyridinecarboxylic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 2-[(2-fluorophenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(2-fluorobenzyl)thio]nicotinic acid (3-nitrophenyl) ester Formula: C19H13FN2O4S MolecularWeight: 384.380923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C19H13FN2O4S/c20-17-9-2-1-5-13(17)12-27-18-16(8-4-10-21-18)19(23)26-15-7-3-6-14(11-15)22(24)25/h1-11H,12H2