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

Systemtic Name: 3-[1-(4-iodophenyl)-2-(3-methylbutylsulfanyl)imidazol-4-yl]chromen-2-one Openeye Name: 3-[1-(4-iodophenyl)-2-isopentylsulfanyl-imidazol-4-yl]chromen-2-one CAS Name: 3-[1-(4-iodophenyl)-2-(3-methylbutylthio)-4-imidazolyl]-1-benzopyran-2-one IUPAC Name: 3-[1-(4-iodophenyl)-2-(3-methylbutylsulfanyl)imidazol-4-yl]chromen-2-one Traditional Name: 3-[1-(4-iodophenyl)-2-(isoamylthio)imidazol-4-yl]coumarin Formula: C23H21IN2O2S MolecularWeight: 516.39451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=CN1C2=CC=C(C=C2)I)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC(C)CCSC1=NC(=CN1C2=CC=C(C=C2)I)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C23H21IN2O2S/c1-15(2)11-12-29-23-25-20(14-26(23)18-9-7-17(24)8-10-18)19-13-16-5-3-4-6-21(16)28-22(19)27/h3-10,13-15H,11-12H2,1-2H3