2-(2-cyanophenyl)sulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[4-(4-pyridylmethyl)phenyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[4-(4-pyridylmethyl)phenyl]benzamide Formula: C26H19N3OS MolecularWeight: 421.51356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C26H19N3OS/c27-18-21-5-1-3-7-24(21)31-25-8-4-2-6-23(25)26(30)29-22-11-9-19(10-12-22)17-20-13-15-28-16-14-20/h1-16H,17H2,(H,29,30)