6-pyridin-4-yl-2-(pyridin-3-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-pyridin-4-yl-2-(pyridin-3-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-pyridyl)-2-(3-pyridylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-pyridin-4-yl-2-(3-pyridinylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-pyridin-4-yl-2-(pyridin-3-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-pyridyl)-2-(3-pyridylmethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C18H11F3N4S MolecularWeight: 372.36695

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=C(C(=CC(=N2)C3=CC=NC=C3)C(F)(F)F)C#N

Isomeric SMILES

C1=CC(=CN=C1)CSC2=C(C(=CC(=N2)C3=CC=NC=C3)C(F)(F)F)C#N

InChI

InChI=1S/C18H11F3N4S/c19-18(20,21)15-8-16(13-3-6-23-7-4-13)25-17(14(15)9-22)26-11-12-2-1-5-24-10-12/h1-8,10H,11H2