[2,6-bis(chloranyl)phenyl]methyl (2S)-2-cyano-3-oxidanylidene-butanimidothioate

Systemtic Name: [2,6-bis(chloranyl)phenyl]methyl (2S)-2-cyano-3-oxidanylidene-butanimidothioate Openeye Name: (2,6-dichlorophenyl)methyl (2S)-2-cyano-3-oxo-butanimidothioate CAS Name: (2S)-2-cyano-3-oxobutanimidothioic acid (2,6-dichlorophenyl)methyl ester IUPAC Name: (2,6-dichlorophenyl)methyl (2S)-2-cyano-3-oxobutanimidothioate Traditional Name: (2S)-2-cyano-3-keto-thiobutyrimidic acid (2,6-dichlorobenzyl) ester Formula: C12H10Cl2N2OS MolecularWeight: 301.1916

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C#N)C(=N)SCC1=C(C=CC=C1Cl)Cl

Isomeric SMILES

CC(=O)[C@H](C#N)C(=N)SCC1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C12H10Cl2N2OS/c1-7(17)8(5-15)12(16)18-6-9-10(13)3-2-4-11(9)14/h2-4,8,16H,6H2,1H3/t8-/m0/s1