5-chloranyl-6-(4-propan-2-ylphenyl)sulfanyl-pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-(4-propan-2-ylphenyl)sulfanyl-pyridine-3-carboxylate Openeye Name: 5-chloro-6-(4-isopropylphenyl)sulfanyl-pyridine-3-carboxylate CAS Name: 5-chloro-6-[(4-propan-2-ylphenyl)thio]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-(4-propan-2-ylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 5-chloro-6-(p-cumenylthio)nicotinate Formula: C15H13ClNO2S- MolecularWeight: 306.78722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SC2=C(C=C(C=N2)C(=O)[O-])Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC2=C(C=C(C=N2)C(=O)[O-])Cl

InChI

InChI=1S/C15H14ClNO2S/c1-9(2)10-3-5-12(6-4-10)20-14-13(16)7-11(8-17-14)15(18)19/h3-9H,1-2H3,(H,18,19)/p-1