ethyl 2,5-bis(chloranyl)-4,6-bis[(4-methylphenyl)sulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 2,5-bis(chloranyl)-4,6-bis[(4-methylphenyl)sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 2,5-dichloro-4,6-bis(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2,5-dichloro-4,6-bis[(4-methylphenyl)thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dichloro-4,6-bis[(4-methylphenyl)sulfanyl]pyridine-3-carboxylate Traditional Name: 2,5-dichloro-4,6-bis(p-tolylthio)nicotinic acid ethyl ester Formula: C22H19Cl2NO2S2 MolecularWeight: 464.42776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N=C1Cl)SC2=CC=C(C=C2)C)Cl)SC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N=C1Cl)SC2=CC=C(C=C2)C)Cl)SC3=CC=C(C=C3)C

InChI

InChI=1S/C22H19Cl2NO2S2/c1-4-27-22(26)17-19(28-15-9-5-13(2)6-10-15)18(23)21(25-20(17)24)29-16-11-7-14(3)8-12-16/h5-12H,4H2,1-3H3