2-(pyridin-4-ylmethylsulfanyl)-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(pyridin-4-ylmethylsulfanyl)-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(4-pyridylmethylsulfanyl)-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 5-[oxo(thiophen-2-yl)methyl]-2-(pyridin-4-ylmethylthio)-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(pyridin-4-ylmethylsulfanyl)-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(4-pyridylmethylthio)-5-(2-thenoyl)-6-(trifluoromethyl)nicotinonitrile Formula: C18H10F3N3OS2 MolecularWeight: 405.41671

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C2=C(N=C(C(=C2)C#N)SCC3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)C(=O)C2=C(N=C(C(=C2)C#N)SCC3=CC=NC=C3)C(F)(F)F

InChI

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