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

Systemtic Name: 2-[[2-bromanyl-4-[(2S)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[2-bromo-4-[(2S)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]methyl]benzonitrile CAS Name: 2-[[2-bromo-4-[(2S)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]methyl]benzonitrile IUPAC Name: 2-[[2-bromo-4-[(2S)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]methyl]benzonitrile Traditional Name: 2-[[2-bromo-4-[(2S)-5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl]phenoxy]methyl]benzonitrile Formula: C22H16BrN3OS MolecularWeight: 450.35094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C2=NN[C@@H](S2)C3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)Br

InChI

InChI=1S/C22H16BrN3OS/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/t22-/m0/s1