(4,4-dimethyl-3-oxidanyl-pentyl) N-(5-chloranylpyridin-2-yl)carbamodithioate

Systemtic Name: (4,4-dimethyl-3-oxidanyl-pentyl) N-(5-chloranylpyridin-2-yl)carbamodithioate Openeye Name: (3-hydroxy-4,4-dimethyl-pentyl) N-(5-chloro-2-pyridyl)carbamodithioate CAS Name: N-(5-chloro-2-pyridinyl)carbamodithioic acid (3-hydroxy-4,4-dimethylpentyl) ester IUPAC Name: (3-hydroxy-4,4-dimethylpentyl) N-(5-chloropyridin-2-yl)carbamodithioate Traditional Name: N-(5-chloro-2-pyridyl)carbamodithioic acid (3-hydroxy-4,4-dimethyl-pentyl) ester Formula: C13H19ClN2OS2 MolecularWeight: 318.88576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2OS2/c1-13(2,3)10(17)6-7-19-12(18)16-11-5-4-9(14)8-15-11/h4-5,8,10,17H,6-7H2,1-3H3,(H,15,16,18)