2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(3-pyridylmethylsulfanyl)-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 5-[oxo(thiophen-2-yl)methyl]-2-(3-pyridinylmethylthio)-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(pyridin-3-ylmethylsulfanyl)-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(3-pyridylmethylthio)-5-(2-thenoyl)-6-(trifluoromethyl)nicotinonitrile Formula: C18H10F3N3OS2 MolecularWeight: 405.41671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=NC(=C(C=C2C#N)C(=O)C3=CC=CS3)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)CSC2=NC(=C(C=C2C#N)C(=O)C3=CC=CS3)C(F)(F)F

InChI

InChI=1S/C18H10F3N3OS2/c19-18(20,21)16-13(15(25)14-4-2-6-26-14)7-12(8-22)17(24-16)27-10-11-3-1-5-23-9-11/h1-7,9H,10H2