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

Systemtic Name: 3-[1-(4-iodophenyl)-2-(oxolan-2-ylmethylsulfanyl)imidazol-4-yl]chromen-2-one Openeye Name: 3-[1-(4-iodophenyl)-2-(tetrahydrofuran-2-ylmethylsulfanyl)imidazol-4-yl]chromen-2-one CAS Name: 3-[1-(4-iodophenyl)-2-(2-oxolanylmethylthio)-4-imidazolyl]-1-benzopyran-2-one IUPAC Name: 3-[1-(4-iodophenyl)-2-(oxolan-2-ylmethylsulfanyl)imidazol-4-yl]chromen-2-one Traditional Name: 3-[1-(4-iodophenyl)-2-(tetrahydrofurfurylthio)imidazol-4-yl]coumarin Formula: C23H19IN2O3S MolecularWeight: 530.37803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=NC(=CN2C3=CC=C(C=C3)I)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CC(OC1)CSC2=NC(=CN2C3=CC=C(C=C3)I)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C23H19IN2O3S/c24-16-7-9-17(10-8-16)26-13-20(25-23(26)30-14-18-5-3-11-28-18)19-12-15-4-1-2-6-21(15)29-22(19)27/h1-2,4,6-10,12-13,18H,3,5,11,14H2