3-[2-[(4-fluorophenyl)methylsulfanyl]-1-(4-iodophenyl)imidazol-4-yl]chromen-2-one

Systemtic Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-1-(4-iodophenyl)imidazol-4-yl]chromen-2-one Openeye Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-1-(4-iodophenyl)imidazol-4-yl]chromen-2-one CAS Name: 3-[2-[(4-fluorophenyl)methylthio]-1-(4-iodophenyl)-4-imidazolyl]-1-benzopyran-2-one IUPAC Name: 3-[2-[(4-fluorophenyl)methylsulfanyl]-1-(4-iodophenyl)imidazol-4-yl]chromen-2-one Traditional Name: 3-[2-[(4-fluorobenzyl)thio]-1-(4-iodophenyl)imidazol-4-yl]coumarin Formula: C25H16FIN2O2S MolecularWeight: 554.374613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCC4=CC=C(C=C4)F)C5=CC=C(C=C5)I

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCC4=CC=C(C=C4)F)C5=CC=C(C=C5)I

InChI

InChI=1S/C25H16FIN2O2S/c26-18-7-5-16(6-8-18)15-32-25-28-22(14-29(25)20-11-9-19(27)10-12-20)21-13-17-3-1-2-4-23(17)31-24(21)30/h1-14H,15H2