methyl 4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-pyridine-3-carboxylate

Systemtic Name: methyl 4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-pyridine-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-pyridine-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylpyridine-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[(4,6-dimethoxypyrimidin-2-yl)thio]nicotinic acid methyl ester Formula: C19H16ClN3O4S MolecularWeight: 417.86604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SC2=NC=CC(=C2C(=O)OC)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=CC(=NC(=N1)SC2=NC=CC(=C2C(=O)OC)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C19H16ClN3O4S/c1-25-14-10-15(26-2)23-19(22-14)28-17-16(18(24)27-3)13(8-9-21-17)11-4-6-12(20)7-5-11/h4-10H,1-3H3