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

Systemtic Name: 1-[(E)-1-(4-fluorophenyl)-2-methyl-3-(phenylsulfinyl)prop-1-enyl]benzotriazole Openeye Name: 1-[(E)-3-(benzenesulfinyl)-1-(4-fluorophenyl)-2-methyl-prop-1-enyl]benzotriazole CAS Name: 1-[(E)-3-(benzenesulfinyl)-1-(4-fluorophenyl)-2-methylprop-1-enyl]benzotriazole IUPAC Name: 1-[(E)-3-(benzenesulfinyl)-1-(4-fluorophenyl)-2-methylprop-1-enyl]benzotriazole Traditional Name: 1-[(E)-3-(benzenesulfinyl)-1-(4-fluorophenyl)-2-methyl-prop-1-enyl]benzotriazole Formula: C22H18FN3OS MolecularWeight: 391.461223

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=CC=C(C=C1)F)N2C3=CC=CC=C3N=N2)CS(=O)C4=CC=CC=C4

Isomeric SMILES

C/C(=C(/C1=CC=C(C=C1)F)\N2C3=CC=CC=C3N=N2)/CS(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18FN3OS/c1-16(15-28(27)19-7-3-2-4-8-19)22(17-11-13-18(23)14-12-17)26-21-10-6-5-9-20(21)24-25-26/h2-14H,15H2,1H3/b22-16+