(3,3-dimethyl-2-oxidanyl-butyl) N-(5-chloranylpyridin-2-yl)carbamodithioate

Systemtic Name: (3,3-dimethyl-2-oxidanyl-butyl) N-(5-chloranylpyridin-2-yl)carbamodithioate Openeye Name: (2-hydroxy-3,3-dimethyl-butyl) N-(5-chloro-2-pyridyl)carbamodithioate CAS Name: N-(5-chloro-2-pyridinyl)carbamodithioic acid (2-hydroxy-3,3-dimethylbutyl) ester IUPAC Name: (2-hydroxy-3,3-dimethylbutyl) N-(5-chloropyridin-2-yl)carbamodithioate Traditional Name: N-(5-chloro-2-pyridyl)carbamodithioic acid (2-hydroxy-3,3-dimethyl-butyl) ester Formula: C12H17ClN2OS2 MolecularWeight: 304.85918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CSC(=S)NC1=NC=C(C=C1)Cl)O

Isomeric SMILES

CC(C)(C)C(CSC(=S)NC1=NC=C(C=C1)Cl)O

InChI

InChI=1S/C12H17ClN2OS2/c1-12(2,3)9(16)7-18-11(17)15-10-5-4-8(13)6-14-10/h4-6,9,16H,7H2,1-3H3,(H,14,15,17)