(2-chlorophenyl) 2-[(2,5-dimethylphenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (2-chlorophenyl) 2-[(2,5-dimethylphenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (2-chlorophenyl) 2-[(2,5-dimethylphenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-pyridinecarboxylic acid (2-chlorophenyl) ester IUPAC Name: (2-chlorophenyl) 2-[(2,5-dimethylphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(2,5-dimethylbenzyl)thio]nicotinic acid (2-chlorophenyl) ester Formula: C21H18ClNO2S MolecularWeight: 383.89112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC=C3Cl

InChI

InChI=1S/C21H18ClNO2S/c1-14-9-10-15(2)16(12-14)13-26-20-17(6-5-11-23-20)21(24)25-19-8-4-3-7-18(19)22/h3-12H,13H2,1-2H3