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

Systemtic Name: 3-[2-(2-hydroxyethylsulfanyl)-1-(4-iodophenyl)imidazol-4-yl]chromen-2-one Openeye Name: 3-[2-(2-hydroxyethylsulfanyl)-1-(4-iodophenyl)imidazol-4-yl]chromen-2-one CAS Name: 3-[2-(2-hydroxyethylthio)-1-(4-iodophenyl)-4-imidazolyl]-1-benzopyran-2-one IUPAC Name: 3-[2-(2-hydroxyethylsulfanyl)-1-(4-iodophenyl)imidazol-4-yl]chromen-2-one Traditional Name: 3-[2-(2-hydroxyethylthio)-1-(4-iodophenyl)imidazol-4-yl]coumarin Formula: C20H15IN2O3S MolecularWeight: 490.31417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCCO)C4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN(C(=N3)SCCO)C4=CC=C(C=C4)I

InChI

InChI=1S/C20H15IN2O3S/c21-14-5-7-15(8-6-14)23-12-17(22-20(23)27-10-9-24)16-11-13-3-1-2-4-18(13)26-19(16)25/h1-8,11-12,24H,9-10H2