2-(2,5-dimethylphenyl)sulfanylpyridine-4-carboxylate

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanylpyridine-4-carboxylate Openeye Name: 2-(2,5-dimethylphenyl)sulfanylpyridine-4-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)thio]-4-pyridinecarboxylate IUPAC Name: 2-(2,5-dimethylphenyl)sulfanylpyridine-4-carboxylate Traditional Name: 2-[(2,5-dimethylphenyl)thio]isonicotinate Formula: C14H12NO2S- MolecularWeight: 258.31558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=NC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=NC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C14H13NO2S/c1-9-3-4-10(2)12(7-9)18-13-8-11(14(16)17)5-6-15-13/h3-8H,1-2H3,(H,16,17)/p-1