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

Systemtic Name: 6-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-(4-pyridylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-(pyridin-4-ylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(4-methoxyphenyl)-2-(4-pyridylmethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C20H14F3N3OS MolecularWeight: 401.40487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=NC=C3

InChI

InChI=1S/C20H14F3N3OS/c1-27-15-4-2-14(3-5-15)18-10-17(20(21,22)23)16(11-24)19(26-18)28-12-13-6-8-25-9-7-13/h2-10H,12H2,1H3