2-[(E)-4-phenyl-3-(phenylmethyl)-3-(phenylsulfonyl)but-1-enyl]benzotriazole

Systemtic Name: 2-[(E)-4-phenyl-3-(phenylmethyl)-3-(phenylsulfonyl)but-1-enyl]benzotriazole Openeye Name: 2-[(E)-3-(benzenesulfonyl)-3-benzyl-4-phenyl-but-1-enyl]benzotriazole CAS Name: 2-[(E)-3-(benzenesulfonyl)-4-phenyl-3-(phenylmethyl)but-1-enyl]benzotriazole IUPAC Name: 2-[(E)-3-(benzenesulfonyl)-3-benzyl-4-phenylbut-1-enyl]benzotriazole Traditional Name: 2-[(E)-3-benzyl-3-besyl-4-phenyl-but-1-enyl]benzotriazole Formula: C29H25N3O2S MolecularWeight: 479.5927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C=CN3N=C4C=CC=CC4=N3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(/C=C/N3N=C4C=CC=CC4=N3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H25N3O2S/c33-35(34,26-16-8-3-9-17-26)29(22-24-12-4-1-5-13-24,23-25-14-6-2-7-15-25)20-21-32-30-27-18-10-11-19-28(27)31-32/h1-21H,22-23H2/b21-20+