1-[(Z)-2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-phenylsulfanyl-prop-1-enyl]benzotriazole

Systemtic Name: 1-[(Z)-2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-phenylsulfanyl-prop-1-enyl]benzotriazole Openeye Name: 1-[(Z)-2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-phenylsulfanyl-prop-1-enyl]benzotriazole CAS Name: 1-[(Z)-2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-(phenylthio)prop-1-enyl]benzotriazole IUPAC Name: 1-[(Z)-2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-phenylsulfanylprop-1-enyl]benzotriazole Traditional Name: 1-[(Z)-2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-(phenylthio)prop-1-enyl]benzotriazole Formula: C29H24FN3S MolecularWeight: 465.584363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=C(C2=CC=C(C=C2)F)N3C4=CC=CC=C4N=N3)CSC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C(=C(\C2=CC=C(C=C2)F)/N3C4=CC=CC=C4N=N3)/CSC5=CC=CC=C5

InChI

InChI=1S/C29H24FN3S/c1-20-12-13-21(2)25(18-20)26(19-34-24-8-4-3-5-9-24)29(22-14-16-23(30)17-15-22)33-28-11-7-6-10-27(28)31-32-33/h3-18H,19H2,1-2H3/b29-26+