1-[(E)-3-(phenylsulfonyl)but-1-enyl]benzotriazole

Systemtic Name: 1-[(E)-3-(phenylsulfonyl)but-1-enyl]benzotriazole Openeye Name: 1-[(E)-3-(benzenesulfonyl)but-1-enyl]benzotriazole CAS Name: 1-[(E)-3-(benzenesulfonyl)but-1-enyl]benzotriazole IUPAC Name: 1-[(E)-3-(benzenesulfonyl)but-1-enyl]benzotriazole Traditional Name: 1-[(E)-3-besylbut-1-enyl]benzotriazole Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CN1C2=CC=CC=C2N=N1)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(/C=C/N1C2=CC=CC=C2N=N1)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2S/c1-13(22(20,21)14-7-3-2-4-8-14)11-12-19-16-10-6-5-9-15(16)17-18-19/h2-13H,1H3/b12-11+