5,6-bis(4-chlorophenyl)-2-(methoxymethyl)-N-pyridin-3-yl-pyridine-3-carbothioamide

Systemtic Name: 5,6-bis(4-chlorophenyl)-2-(methoxymethyl)-N-pyridin-3-yl-pyridine-3-carbothioamide Openeye Name: 5,6-bis(4-chlorophenyl)-2-(methoxymethyl)-N-(3-pyridyl)pyridine-3-carbothioamide CAS Name: 5,6-bis(4-chlorophenyl)-2-(methoxymethyl)-N-(3-pyridinyl)-3-pyridinecarbothioamide IUPAC Name: 5,6-bis(4-chlorophenyl)-2-(methoxymethyl)-N-pyridin-3-ylpyridine-3-carbothioamide Traditional Name: 5,6-bis(4-chlorophenyl)-2-(methoxymethyl)-N-(3-pyridyl)thionicotinamide Formula: C25H19Cl2N3OS MolecularWeight: 480.40886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=S)NC4=CN=CC=C4

Isomeric SMILES

COCC1=C(C=C(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=S)NC4=CN=CC=C4

InChI

InChI=1S/C25H19Cl2N3OS/c1-31-15-23-22(25(32)29-20-3-2-12-28-14-20)13-21(16-4-8-18(26)9-5-16)24(30-23)17-6-10-19(27)11-7-17/h2-14H,15H2,1H3,(H,29,32)