6-chloranyl-N-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 6-chloranyl-N-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[(4-chloro-6-methoxy-pyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[(4-chloro-6-methoxypyrimidin-2-yl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[(4-chloro-6-methoxy-pyrimidin-2-yl)thiocarbamoyl]nicotinamide Formula: C12H9Cl2N5O2S MolecularWeight: 358.20316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CN=C(C=C2)Cl)Cl

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=S)NC(=O)C2=CN=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H9Cl2N5O2S/c1-21-9-4-8(14)16-11(17-9)19-12(22)18-10(20)6-2-3-7(13)15-5-6/h2-5H,1H3,(H2,16,17,18,19,20,22)