5,6-bis(4-chlorophenyl)-3-(methoxymethyl)-N-(4-methyl-1-oxidanyl-pentan-2-yl)pyridine-2-carbothioamide

Systemtic Name: 5,6-bis(4-chlorophenyl)-3-(methoxymethyl)-N-(4-methyl-1-oxidanyl-pentan-2-yl)pyridine-2-carbothioamide Openeye Name: 5,6-bis(4-chlorophenyl)-N-[1-(hydroxymethyl)-3-methyl-butyl]-3-(methoxymethyl)pyridine-2-carbothioamide CAS Name: 5,6-bis(4-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)-3-(methoxymethyl)-2-pyridinecarbothioamide IUPAC Name: 5,6-bis(4-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)-3-(methoxymethyl)pyridine-2-carbothioamide Traditional Name: 5,6-bis(4-chlorophenyl)-3-(methoxymethyl)-N-(3-methyl-1-methylol-butyl)thiopicolinamide Formula: C26H28Cl2N2O2S MolecularWeight: 503.48372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)NC(=S)C1=C(C=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)COC

Isomeric SMILES

CC(C)CC(CO)NC(=S)C1=C(C=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)COC

InChI

InChI=1S/C26H28Cl2N2O2S/c1-16(2)12-22(14-31)29-26(33)25-19(15-32-3)13-23(17-4-8-20(27)9-5-17)24(30-25)18-6-10-21(28)11-7-18/h4-11,13,16,22,31H,12,14-15H2,1-3H3,(H,29,33)