3-[1-(4-chlorophenyl)-2-[(2-fluoranyl-6-nitro-phenyl)methylsulfanyl]imidazol-4-yl]chromen-2-one

Systemtic Name: 3-[1-(4-chlorophenyl)-2-[(2-fluoranyl-6-nitro-phenyl)methylsulfanyl]imidazol-4-yl]chromen-2-one Openeye Name: 3-[1-(4-chlorophenyl)-2-[(2-fluoro-6-nitro-phenyl)methylsulfanyl]imidazol-4-yl]chromen-2-one CAS Name: 3-[1-(4-chlorophenyl)-2-[(2-fluoro-6-nitrophenyl)methylthio]-4-imidazolyl]-1-benzopyran-2-one IUPAC Name: 3-[1-(4-chlorophenyl)-2-[(2-fluoro-6-nitrophenyl)methylsulfanyl]imidazol-4-yl]chromen-2-one Traditional Name: 3-[1-(4-chlorophenyl)-2-[(2-fluoro-6-nitro-benzyl)thio]imidazol-4-yl]coumarin Formula: C25H15ClFN3O4S MolecularWeight: 507.920703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCC4=C(C=CC=C4F)[N+](=O)[O-])C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCC4=C(C=CC=C4F)[N+](=O)[O-])C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H15ClFN3O4S/c26-16-8-10-17(11-9-16)29-13-21(18-12-15-4-1-2-7-23(15)34-24(18)31)28-25(29)35-14-19-20(27)5-3-6-22(19)30(32)33/h1-13H,14H2