3,5-bis(chloranyl)-N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)carbamothioyl]benzamide Openeye Name: 3,5-dichloro-N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)carbamothioyl]benzamide CAS Name: 3,5-dichloro-N-[[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]benzamide Traditional Name: 3,5-dichloro-N-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)thiocarbamoyl]benzamide Formula: C16H12Cl2N4O2S MolecularWeight: 395.26308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)C2=CC(=CC(=C2)Cl)Cl)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1NC(=S)NC(=O)C2=CC(=CC(=C2)Cl)Cl)C#N)C

InChI

InChI=1S/C16H12Cl2N4O2S/c1-8-3-9(2)22(15(24)13(8)7-19)21-16(25)20-14(23)10-4-11(17)6-12(18)5-10/h3-6H,1-2H3,(H2,20,21,23,25)