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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC(=CN2C3=CC=C(C=C3)I)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC(=CN2C3=CC=C(C=C3)I)C4=CC5=CC=CC=C5OC4=O

InChI

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