[4-(4-nitrophenyl)sulfanylphenyl]methyl pyridine-4-carboxylate

Systemtic Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl pyridine-4-carboxylate Openeye Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(4-nitrophenyl)thio]benzyl] ester Formula: C19H14N2O4S MolecularWeight: 366.39046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC=NC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC=NC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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