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

Systemtic Name: 3-[1-(4-iodophenyl)-2-propylsulfanyl-imidazol-4-yl]chromen-2-one Openeye Name: 3-[1-(4-iodophenyl)-2-propylsulfanyl-imidazol-4-yl]chromen-2-one CAS Name: 3-[1-(4-iodophenyl)-2-(propylthio)-4-imidazolyl]-1-benzopyran-2-one IUPAC Name: 3-[1-(4-iodophenyl)-2-propylsulfanylimidazol-4-yl]chromen-2-one Traditional Name: 3-[1-(4-iodophenyl)-2-(propylthio)imidazol-4-yl]coumarin Formula: C21H17IN2O2S MolecularWeight: 488.34135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=CN1C2=CC=C(C=C2)I)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCCSC1=NC(=CN1C2=CC=C(C=C2)I)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H17IN2O2S/c1-2-11-27-21-23-18(13-24(21)16-9-7-15(22)8-10-16)17-12-14-5-3-4-6-19(14)26-20(17)25/h3-10,12-13H,2,11H2,1H3