6-[1-(4-tert-butylphenyl)-2-fluoranyl-ethyl]sulfanyl-2,2-dimethyl-chromene

Systemtic Name: 6-[1-(4-tert-butylphenyl)-2-fluoranyl-ethyl]sulfanyl-2,2-dimethyl-chromene Openeye Name: 6-[1-(4-tert-butylphenyl)-2-fluoranyl-ethyl]sulfanyl-2,2-dimethyl-chromene CAS Name: 6-[[1-(4-tert-butylphenyl)-2-fluoranylethyl]thio]-2,2-dimethyl-1-benzopyran IUPAC Name: 6-[1-(4-tert-butylphenyl)-2-fluoranylethyl]sulfanyl-2,2-dimethylchromene Traditional Name: 6-[[1-(4-tert-butylphenyl)-2-fluoranyl-ethyl]thio]-2,2-dimethyl-chromene Formula: C23H27FOS MolecularWeight: 369.525818

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2=C(O1)C=CC(=C2)SC(CF)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1(C=CC2=C(O1)C=CC(=C2)SC(C[18F])C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C23H27FOS/c1-22(2,3)18-8-6-16(7-9-18)21(15-24)26-19-10-11-20-17(14-19)12-13-23(4,5)25-20/h6-14,21H,15H2,1-5H3/i24-1