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

Systemtic Name: 3-[1-(4-iodophenyl)-2-phenacylsulfanyl-imidazol-4-yl]chromen-2-one Openeye Name: 3-[1-(4-iodophenyl)-2-phenacylsulfanyl-imidazol-4-yl]chromen-2-one CAS Name: 3-[1-(4-iodophenyl)-2-(phenacylthio)-4-imidazolyl]-1-benzopyran-2-one IUPAC Name: 3-[1-(4-iodophenyl)-2-phenacylsulfanylimidazol-4-yl]chromen-2-one Traditional Name: 3-[1-(4-iodophenyl)-2-(phenacylthio)imidazol-4-yl]coumarin Formula: C26H17IN2O3S MolecularWeight: 564.39425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=CN2C3=CC=C(C=C3)I)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=CN2C3=CC=C(C=C3)I)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C26H17IN2O3S/c27-19-10-12-20(13-11-19)29-15-22(21-14-18-8-4-5-9-24(18)32-25(21)31)28-26(29)33-16-23(30)17-6-2-1-3-7-17/h1-15H,16H2