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

Systemtic Name: sodium 4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-pyridine-3-carboxylate Openeye Name: sodium 4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-pyridine-3-carboxylate CAS Name: sodium 4-(4-chlorophenyl)-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-pyridinecarboxylate IUPAC Name: sodium 4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylpyridine-3-carboxylate Traditional Name: sodium 4-(4-chlorophenyl)-2-[(4,6-dimethoxypyrimidin-2-yl)thio]nicotinate Formula: C18H13ClN3NaO4S MolecularWeight: 425.82129

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)SC2=NC=CC(=C2C(=O)[O-])C3=CC=C(C=C3)Cl)OC.[Na+]

Isomeric SMILES

COC1=CC(=NC(=N1)SC2=NC=CC(=C2C(=O)[O-])C3=CC=C(C=C3)Cl)OC.[Na+]

InChI

InChI=1S/C18H14ClN3O4S.Na/c1-25-13-9-14(26-2)22-18(21-13)27-16-15(17(23)24)12(7-8-20-16)10-3-5-11(19)6-4-10;/h3-9H,1-2H3,(H,23,24);/q;+1/p-1