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

Systemtic Name: 4-[2-[2,3-bis(oxidanyl)propylsulfanyl]-1-(4-cyanophenyl)imidazol-4-yl]benzenecarbonitrile Openeye Name: 4-[1-(4-cyanophenyl)-2-(2,3-dihydroxypropylsulfanyl)imidazol-4-yl]benzonitrile CAS Name: 4-[1-(4-cyanophenyl)-2-(2,3-dihydroxypropylthio)-4-imidazolyl]benzonitrile IUPAC Name: 4-[1-(4-cyanophenyl)-2-(2,3-dihydroxypropylsulfanyl)imidazol-4-yl]benzonitrile Traditional Name: 4-[1-(4-cyanophenyl)-2-(glycerylthio)imidazol-4-yl]benzonitrile Formula: C20H16N4O2S MolecularWeight: 376.43164

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O2S/c21-9-14-1-5-16(6-2-14)19-11-24(17-7-3-15(10-22)4-8-17)20(23-19)27-13-18(26)12-25/h1-8,11,18,25-26H,12-13H2