(1-imidazol-1-yl-4,4-dimethyl-3-oxidanylidene-pentan-2-yl) N,N-dimethylcarbamodithioate

Systemtic Name: (1-imidazol-1-yl-4,4-dimethyl-3-oxidanylidene-pentan-2-yl) N,N-dimethylcarbamodithioate Openeye Name: [1-(imidazol-1-ylmethyl)-3,3-dimethyl-2-oxo-butyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [1-(1-imidazolyl)-4,4-dimethyl-3-oxopentan-2-yl] ester IUPAC Name: (1-imidazol-1-yl-4,4-dimethyl-3-oxopentan-2-yl) N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [1-(imidazol-1-ylmethyl)-2-keto-3,3-dimethyl-butyl] ester Formula: C13H21N3OS2 MolecularWeight: 299.45534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(CN1C=CN=C1)SC(=S)N(C)C

Isomeric SMILES

CC(C)(C)C(=O)C(CN1C=CN=C1)SC(=S)N(C)C

InChI

InChI=1S/C13H21N3OS2/c1-13(2,3)11(17)10(19-12(18)15(4)5)8-16-7-6-14-9-16/h6-7,9-10H,8H2,1-5H3