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

Systemtic Name: 3-[1-(4-iodophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazol-4-yl]chromen-2-one Openeye Name: 3-[1-(4-iodophenyl)-2-(o-tolylmethylsulfanyl)imidazol-4-yl]chromen-2-one CAS Name: 3-[1-(4-iodophenyl)-2-[(2-methylphenyl)methylthio]-4-imidazolyl]-1-benzopyran-2-one IUPAC Name: 3-[1-(4-iodophenyl)-2-[(2-methylphenyl)methylsulfanyl]imidazol-4-yl]chromen-2-one Traditional Name: 3-[1-(4-iodophenyl)-2-[(2-methylbenzyl)thio]imidazol-4-yl]coumarin Formula: C26H19IN2O2S MolecularWeight: 550.41073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=CN2C3=CC=C(C=C3)I)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=CN2C3=CC=C(C=C3)I)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C26H19IN2O2S/c1-17-6-2-3-8-19(17)16-32-26-28-23(15-29(26)21-12-10-20(27)11-13-21)22-14-18-7-4-5-9-24(18)31-25(22)30/h2-15H,16H2,1H3