4-[2-[2,3-bis(oxidanyl)propylsulfanyl]-1-(4-iodophenyl)imidazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2,3-bis(oxidanyl)propylsulfanyl]-1-(4-iodophenyl)imidazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(2,3-dihydroxypropylsulfanyl)-1-(4-iodophenyl)imidazol-4-yl]benzonitrile CAS Name: 4-[2-(2,3-dihydroxypropylthio)-1-(4-iodophenyl)-4-imidazolyl]benzonitrile IUPAC Name: 4-[2-(2,3-dihydroxypropylsulfanyl)-1-(4-iodophenyl)imidazol-4-yl]benzonitrile Traditional Name: 4-[2-(glycerylthio)-1-(4-iodophenyl)imidazol-4-yl]benzonitrile Formula: C19H16IN3O2S MolecularWeight: 477.31871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CN(C(=N2)SCC(CO)O)C3=CC=C(C=C3)I

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CN(C(=N2)SCC(CO)O)C3=CC=C(C=C3)I

InChI

InChI=1S/C19H16IN3O2S/c20-15-5-7-16(8-6-15)23-10-18(14-3-1-13(9-21)2-4-14)22-19(23)26-12-17(25)11-24/h1-8,10,17,24-25H,11-12H2