S-methyl (2S,4R)-4-chloranyl-2,4-dicyano-2-methyl-butanethioate

Systemtic Name: S-methyl (2S,4R)-4-chloranyl-2,4-dicyano-2-methyl-butanethioate Openeye Name: S-methyl (2S,4R)-4-chloro-2,4-dicyano-2-methyl-butanethioate CAS Name: (2S,4R)-4-chloro-2,4-dicyano-2-methylbutanethioic acid S-methyl ester IUPAC Name: S-methyl (2S,4R)-4-chloro-2,4-dicyano-2-methylbutanethioate Traditional Name: (2S,4R)-4-chloro-2,4-dicyano-2-methyl-butanethioic acid S-methyl ester Formula: C8H9ClN2OS MolecularWeight: 216.68786

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C#N)Cl)(C#N)C(=O)SC

Isomeric SMILES

C[C@](C[C@H](C#N)Cl)(C#N)C(=O)SC

InChI

InChI=1S/C8H9ClN2OS/c1-8(5-11,7(12)13-2)3-6(9)4-10/h6H,3H2,1-2H3/t6-,8+/m1/s1