2-[[2-iodanyl-4-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-iodanyl-4-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-iodo-4-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenoxy]methyl]benzonitrile CAS Name: 2-[[2-iodo-4-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-iodo-4-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-iodo-4-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)phenoxy]methyl]benzonitrile Formula: C22H16IN3OS MolecularWeight: 497.35141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(S2)C3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)I

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(S2)C3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)I

InChI

InChI=1S/C22H16IN3OS/c23-19-12-16(22-26-25-21(28-22)15-6-2-1-3-7-15)10-11-20(19)27-14-18-9-5-4-8-17(18)13-24/h1-12,22,26H,14H2