2-cyclopropyl-4-(4-fluorophenyl)-3-[2-[(2R)-oxiran-2-yl]-1-phenylsulfanyl-ethyl]quinoline

Systemtic Name: 2-cyclopropyl-4-(4-fluorophenyl)-3-[2-[(2R)-oxiran-2-yl]-1-phenylsulfanyl-ethyl]quinoline Openeye Name: 2-cyclopropyl-4-(4-fluorophenyl)-3-[2-[(2R)-oxiran-2-yl]-1-phenylsulfanyl-ethyl]quinoline CAS Name: 2-cyclopropyl-4-(4-fluorophenyl)-3-[2-[(2R)-2-oxiranyl]-1-(phenylthio)ethyl]quinoline IUPAC Name: 2-cyclopropyl-4-(4-fluorophenyl)-3-[2-[(2R)-oxiran-2-yl]-1-phenylsulfanylethyl]quinoline Traditional Name: 2-cyclopropyl-4-(4-fluorophenyl)-3-[2-[(2R)-oxiran-2-yl]-1-(phenylthio)ethyl]quinoline Formula: C28H24FNOS MolecularWeight: 441.559663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2C(CC4CO4)SC5=CC=CC=C5)C6=CC=C(C=C6)F

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2C(C[C@@H]4CO4)SC5=CC=CC=C5)C6=CC=C(C=C6)F

InChI

InChI=1S/C28H24FNOS/c29-20-14-12-18(13-15-20)26-23-8-4-5-9-24(23)30-28(19-10-11-19)27(26)25(16-21-17-31-21)32-22-6-2-1-3-7-22/h1-9,12-15,19,21,25H,10-11,16-17H2/t21-,25?/m1/s1