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

Systemtic Name: 3-[1-(4-iodophenyl)-2-[(4-nitrophenyl)methylsulfanyl]imidazol-4-yl]chromen-2-one Openeye Name: 3-[1-(4-iodophenyl)-2-[(4-nitrophenyl)methylsulfanyl]imidazol-4-yl]chromen-2-one CAS Name: 3-[1-(4-iodophenyl)-2-[(4-nitrophenyl)methylthio]-4-imidazolyl]-1-benzopyran-2-one IUPAC Name: 3-[1-(4-iodophenyl)-2-[(4-nitrophenyl)methylsulfanyl]imidazol-4-yl]chromen-2-one Traditional Name: 3-[1-(4-iodophenyl)-2-[(4-nitrobenzyl)thio]imidazol-4-yl]coumarin Formula: C25H16IN3O4S MolecularWeight: 581.38171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])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)[N+](=O)[O-])C5=CC=C(C=C5)I

InChI

InChI=1S/C25H16IN3O4S/c26-18-7-11-19(12-8-18)28-14-22(21-13-17-3-1-2-4-23(17)33-24(21)30)27-25(28)34-15-16-5-9-20(10-6-16)29(31)32/h1-14H,15H2