2-[[4-[(4-chlorophenyl)carbamoyl]phenyl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[4-[(4-chlorophenyl)carbamoyl]phenyl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[[4-[(4-chlorophenyl)carbamoyl]phenyl]methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[4-[(4-chloroanilino)-oxomethyl]phenyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[[4-[(4-chlorophenyl)carbamoyl]phenyl]methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[[4-[(4-chlorophenyl)carbamoyl]benzyl]thio]nicotinic acid Formula: C20H15ClN2O3S MolecularWeight: 398.8627

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C20H15ClN2O3S/c21-15-7-9-16(10-8-15)23-18(24)14-5-3-13(4-6-14)12-27-19-17(20(25)26)2-1-11-22-19/h1-11H,12H2,(H,23,24)(H,25,26)