(3-cyano-4,6-dimethyl-pyridin-2-yl) N-(4-chlorophenyl)carbonylcarbamodithioate

Systemtic Name: (3-cyano-4,6-dimethyl-pyridin-2-yl) N-(4-chlorophenyl)carbonylcarbamodithioate Openeye Name: (3-cyano-4,6-dimethyl-2-pyridyl) N-(4-chlorobenzoyl)carbamodithioate CAS Name: N-[(4-chlorophenyl)-oxomethyl]carbamodithioic acid (3-cyano-4,6-dimethyl-2-pyridinyl) ester IUPAC Name: (3-cyano-4,6-dimethylpyridin-2-yl) N-(4-chlorobenzoyl)carbamodithioate Traditional Name: N-(4-chlorobenzoyl)carbamodithioic acid (3-cyano-4,6-dimethyl-2-pyridyl) ester Formula: C16H12ClN3OS2 MolecularWeight: 361.86898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(=S)NC(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC(=S)NC(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C16H12ClN3OS2/c1-9-7-10(2)19-15(13(9)8-18)23-16(22)20-14(21)11-3-5-12(17)6-4-11/h3-7H,1-2H3,(H,20,21,22)