1-[2-[(4-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[2-[(4-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[2-[(4-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[2-[(4-fluorophenyl)methylthio]-1-benzimidazolyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[2-[(4-fluorophenyl)methylsulfanyl]benzimidazol-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[2-[(4-fluorobenzyl)thio]benzimidazol-1-yl]-3,3-dimethyl-butan-2-one Formula: C20H21FN2OS MolecularWeight: 356.456943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N=C1SCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN2OS/c1-20(2,3)18(24)12-23-17-7-5-4-6-16(17)22-19(23)25-13-14-8-10-15(21)11-9-14/h4-11H,12-13H2,1-3H3