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

Systemtic Name: 3-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-fluorophenyl)carbonyl-azepan-2-one Openeye Name: 3-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-fluorobenzoyl)azepan-2-one CAS Name: 3-[[1-(4-chlorophenyl)-2-imidazolyl]thio]-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: 3-[[1-(4-chlorophenyl)imidazol-2-yl]thio]-1-(4-fluorobenzoyl)azepan-2-one Formula: C22H19ClFN3O2S MolecularWeight: 443.921563

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC=CN2C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NC=CN2C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H19ClFN3O2S/c23-16-6-10-18(11-7-16)26-14-12-25-22(26)30-19-3-1-2-13-27(21(19)29)20(28)15-4-8-17(24)9-5-15/h4-12,14,19H,1-3,13H2