(4,4-dimethyl-3-oxidanyl-pentyl) N-pyridin-2-ylcarbamodithioate

Systemtic Name: (4,4-dimethyl-3-oxidanyl-pentyl) N-pyridin-2-ylcarbamodithioate Openeye Name: (3-hydroxy-4,4-dimethyl-pentyl) N-(2-pyridyl)carbamodithioate CAS Name: N-(2-pyridinyl)carbamodithioic acid (3-hydroxy-4,4-dimethylpentyl) ester IUPAC Name: (3-hydroxy-4,4-dimethylpentyl) N-pyridin-2-ylcarbamodithioate Traditional Name: N-(2-pyridyl)carbamodithioic acid (3-hydroxy-4,4-dimethyl-pentyl) ester Formula: C13H20N2OS2 MolecularWeight: 284.4407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CCSC(=S)NC1=CC=CC=N1)O

Isomeric SMILES

CC(C)(C)C(CCSC(=S)NC1=CC=CC=N1)O

InChI

InChI=1S/C13H20N2OS2/c1-13(2,3)10(16)7-9-18-12(17)15-11-6-4-5-8-14-11/h4-6,8,10,16H,7,9H2,1-3H3,(H,14,15,17)