4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)carbonyl-pyridine-3-carbothioic S-acid

Systemtic Name: 4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)carbonyl-pyridine-3-carbothioic S-acid Openeye Name: 4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidine-2-carbonyl)pyridine-3-carbothioic S-acid CAS Name: 4-(4-chlorophenyl)-2-[(4,6-dimethoxy-2-pyrimidinyl)-oxomethyl]-3-pyridinecarbothioic S-acid IUPAC Name: 4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidine-2-carbonyl)pyridine-3-carbothioic S-acid Traditional Name: 4-(4-chlorophenyl)-2-(4,6-dimethoxypyrimidine-2-carbonyl)thionicotinic acid Formula: C19H14ClN3O4S MolecularWeight: 415.85016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C(=O)C2=NC=CC(=C2C(=O)S)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C(=O)C2=NC=CC(=C2C(=O)S)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C19H14ClN3O4S/c1-26-13-9-14(27-2)23-18(22-13)17(24)16-15(19(25)28)12(7-8-21-16)10-3-5-11(20)6-4-10/h3-9H,1-2H3,(H,25,28)