3-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-fluorophenyl)carbonyl-azepan-2-one

Systemtic Name: 3-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-fluorophenyl)carbonyl-azepan-2-one Openeye Name: 3-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-fluorobenzoyl)azepan-2-one CAS Name: 3-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: 3-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]-1-(4-fluorobenzoyl)azepan-2-one Formula: C24H24FN3O2S MolecularWeight: 437.529663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SC3CCCCN(C3=O)C(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C24H24FN3O2S/c1-16-6-11-20(15-17(16)2)27-14-12-26-24(27)31-21-5-3-4-13-28(23(21)30)22(29)18-7-9-19(25)10-8-18/h6-12,14-15,21H,3-5,13H2,1-2H3