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

Systemtic Name: S-[[2-cyano-4-(4-fluorophenyl)-6-phenyl-pyridin-3-yl]methyl] cyclopropanecarbothioate Openeye Name: S-[[2-cyano-4-(4-fluorophenyl)-6-phenyl-3-pyridyl]methyl] cyclopropanecarbothioate CAS Name: cyclopropanecarbothioic acid S-[[2-cyano-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methyl] ester IUPAC Name: S-[[2-cyano-4-(4-fluorophenyl)-6-phenylpyridin-3-yl]methyl] cyclopropanecarbothioate Traditional Name: cyclopropanecarbothioic acid S-[[2-cyano-4-(4-fluorophenyl)-6-phenyl-3-pyridyl]methyl] ester Formula: C23H17FN2OS MolecularWeight: 388.457283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)SCC2=C(N=C(C=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CC1C(=O)SCC2=C(N=C(C=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H17FN2OS/c24-18-10-8-15(9-11-18)19-12-21(16-4-2-1-3-5-16)26-22(13-25)20(19)14-28-23(27)17-6-7-17/h1-5,8-12,17H,6-7,14H2