2-(6-chloranyl-3-phenyl-pyridazin-4-yl)octan-2-yloxymethanethioic S-acid

Systemtic Name: 2-(6-chloranyl-3-phenyl-pyridazin-4-yl)octan-2-yloxymethanethioic S-acid Openeye Name: [1-(6-chloro-3-phenyl-pyridazin-4-yl)-1-methyl-heptoxy]methanethioic S-acid CAS Name: 2-(6-chloro-3-phenyl-4-pyridazinyl)octan-2-yloxymethanethioic S-acid IUPAC Name: 2-(6-chloro-3-phenylpyridazin-4-yl)octan-2-yloxymethanethioic S-acid Traditional Name: [1-(6-chloro-3-phenyl-pyridazin-4-yl)-1-methyl-heptoxy]thioformic acid Formula: C19H23ClN2O2S MolecularWeight: 378.91612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C1=CC(=NN=C1C2=CC=CC=C2)Cl)OC(=O)S

Isomeric SMILES

CCCCCCC(C)(C1=CC(=NN=C1C2=CC=CC=C2)Cl)OC(=O)S

InChI

InChI=1S/C19H23ClN2O2S/c1-3-4-5-9-12-19(2,24-18(23)25)15-13-16(20)21-22-17(15)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3,(H,23,25)