4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]thio]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]thio]-1-(4-fluorophenyl)butan-1-one Formula: C27H25FN2OS MolecularWeight: 444.563603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N2)SCCCC(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N2)SCCCC(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H25FN2OS/c1-18-5-9-21(10-6-18)25-26(22-11-7-19(2)8-12-22)30-27(29-25)32-17-3-4-24(31)20-13-15-23(28)16-14-20/h5-16H,3-4,17H2,1-2H3,(H,29,30)