sodium 2-[[4-(4-chlorophenyl)sulfanylphenyl]amino]pyridine-3-carboxylate

Systemtic Name: sodium 2-[[4-(4-chlorophenyl)sulfanylphenyl]amino]pyridine-3-carboxylate Openeye Name: sodium 2-[4-(4-chlorophenyl)sulfanylanilino]pyridine-3-carboxylate CAS Name: sodium 2-[4-[(4-chlorophenyl)thio]anilino]-3-pyridinecarboxylate IUPAC Name: sodium 2-[4-(4-chlorophenyl)sulfanylanilino]pyridine-3-carboxylate Traditional Name: sodium 2-[4-[(4-chlorophenyl)thio]anilino]nicotinate Formula: C18H12ClN2NaO2S MolecularWeight: 378.80785

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(N=C1)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H13ClN2O2S.Na/c19-12-3-7-14(8-4-12)24-15-9-5-13(6-10-15)21-17-16(18(22)23)2-1-11-20-17;/h1-11H,(H,20,21)(H,22,23);/q;+1/p-1