2-(phenylmethylsulfanyl)-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(phenylmethylsulfanyl)-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(phenylmethylthio)-6-(4-propoxyphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-6-(4-propoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C23H19F3N2OS MolecularWeight: 428.46997

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C23H19F3N2OS/c1-2-12-29-18-10-8-17(9-11-18)21-13-20(23(24,25)26)19(14-27)22(28-21)30-15-16-6-4-3-5-7-16/h3-11,13H,2,12,15H2,1H3