1-[(E)-1-(4-fluorophenyl)-2-phenyl-3-(phenylsulfinyl)prop-1-enyl]benzotriazole

Systemtic Name: 1-[(E)-1-(4-fluorophenyl)-2-phenyl-3-(phenylsulfinyl)prop-1-enyl]benzotriazole Openeye Name: 1-[(E)-3-(benzenesulfinyl)-1-(4-fluorophenyl)-2-phenyl-prop-1-enyl]benzotriazole CAS Name: 1-[(E)-3-(benzenesulfinyl)-1-(4-fluorophenyl)-2-phenylprop-1-enyl]benzotriazole IUPAC Name: 1-[(E)-3-(benzenesulfinyl)-1-(4-fluorophenyl)-2-phenylprop-1-enyl]benzotriazole Traditional Name: 1-[(E)-3-(benzenesulfinyl)-1-(4-fluorophenyl)-2-phenyl-prop-1-enyl]benzotriazole Formula: C27H20FN3OS MolecularWeight: 453.530603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)F)N3C4=CC=CC=C4N=N3)CS(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/C2=CC=C(C=C2)F)\N3C4=CC=CC=C4N=N3)/CS(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H20FN3OS/c28-22-17-15-21(16-18-22)27(31-26-14-8-7-13-25(26)29-30-31)24(20-9-3-1-4-10-20)19-33(32)23-11-5-2-6-12-23/h1-18H,19H2/b27-24-