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

Systemtic Name: 2-[(E,3R)-4-phenyl-3-(phenylsulfonyl)but-1-enyl]benzotriazole Openeye Name: 2-[(E,3R)-3-(benzenesulfonyl)-4-phenyl-but-1-enyl]benzotriazole CAS Name: 2-[(E,3R)-3-(benzenesulfonyl)-4-phenylbut-1-enyl]benzotriazole IUPAC Name: 2-[(E,3R)-3-(benzenesulfonyl)-4-phenylbut-1-enyl]benzotriazole Traditional Name: 2-[(E,3R)-3-besyl-4-phenyl-but-1-enyl]benzotriazole Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C=CN2N=C3C=CC=CC3=N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](/C=C/N2N=C3C=CC=CC3=N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S/c26-28(27,19-11-5-2-6-12-19)20(17-18-9-3-1-4-10-18)15-16-25-23-21-13-7-8-14-22(21)24-25/h1-16,20H,17H2/b16-15+/t20-/m0/s1