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

Systemtic Name: 3-[1-(4-iodophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazol-4-yl]chromen-2-one Openeye Name: 3-[1-(4-iodophenyl)-2-(2-methylallylsulfanyl)imidazol-4-yl]chromen-2-one CAS Name: 3-[1-(4-iodophenyl)-2-(2-methylprop-2-enylthio)-4-imidazolyl]-1-benzopyran-2-one IUPAC Name: 3-[1-(4-iodophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazol-4-yl]chromen-2-one Traditional Name: 3-[1-(4-iodophenyl)-2-(2-methylallylthio)imidazol-4-yl]coumarin Formula: C22H17IN2O2S MolecularWeight: 500.35205

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC(=CN1C2=CC=C(C=C2)I)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC(=C)CSC1=NC(=CN1C2=CC=C(C=C2)I)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H17IN2O2S/c1-14(2)13-28-22-24-19(12-25(22)17-9-7-16(23)8-10-17)18-11-15-5-3-4-6-20(15)27-21(18)26/h3-12H,1,13H2,2H3