S-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-pyridin-2-yl]methyl] 4-fluoranylbenzenecarbothioate

Systemtic Name: S-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-pyridin-2-yl]methyl] 4-fluoranylbenzenecarbothioate Openeye Name: S-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-2-pyridyl]methyl] 4-fluorobenzenecarbothioate CAS Name: 4-fluorobenzenecarbothioic acid S-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-2-pyridinyl]methyl] ester IUPAC Name: S-[[3-cyano-4-(4-fluorophenyl)-6-phenylpyridin-2-yl]methyl] 4-fluorobenzenecarbothioate Traditional Name: 4-fluorothiobenzoic acid S-[[3-cyano-4-(4-fluorophenyl)-6-phenyl-2-pyridyl]methyl] ester Formula: C26H16F2N2OS MolecularWeight: 442.479846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)F)C#N)CSC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)F)C#N)CSC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H16F2N2OS/c27-20-10-6-17(7-11-20)22-14-24(18-4-2-1-3-5-18)30-25(23(22)15-29)16-32-26(31)19-8-12-21(28)13-9-19/h1-14H,16H2