4-[2-(2-hydroxyethylsulfanyl)-1-(4-iodophenyl)imidazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(2-hydroxyethylsulfanyl)-1-(4-iodophenyl)imidazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(2-hydroxyethylsulfanyl)-1-(4-iodophenyl)imidazol-4-yl]benzonitrile CAS Name: 4-[2-(2-hydroxyethylthio)-1-(4-iodophenyl)-4-imidazolyl]benzonitrile IUPAC Name: 4-[2-(2-hydroxyethylsulfanyl)-1-(4-iodophenyl)imidazol-4-yl]benzonitrile Traditional Name: 4-[2-(2-hydroxyethylthio)-1-(4-iodophenyl)imidazol-4-yl]benzonitrile Formula: C18H14IN3OS MolecularWeight: 447.29273

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CN(C(=N2)SCCO)C3=CC=C(C=C3)I

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CN(C(=N2)SCCO)C3=CC=C(C=C3)I

InChI

InChI=1S/C18H14IN3OS/c19-15-5-7-16(8-6-15)22-12-17(21-18(22)24-10-9-23)14-3-1-13(11-20)2-4-14/h1-8,12,23H,9-10H2