1-[(2S)-1-(4-methylphenyl)-3-phenyl-2-phenylsulfanyl-propan-2-yl]benzotriazole

Systemtic Name: 1-[(2S)-1-(4-methylphenyl)-3-phenyl-2-phenylsulfanyl-propan-2-yl]benzotriazole Openeye Name: 1-[(1S)-1-benzyl-1-phenylsulfanyl-2-(p-tolyl)ethyl]benzotriazole CAS Name: 1-[(2S)-1-(4-methylphenyl)-3-phenyl-2-(phenylthio)propan-2-yl]benzotriazole IUPAC Name: 1-[(2S)-1-(4-methylphenyl)-3-phenyl-2-phenylsulfanylpropan-2-yl]benzotriazole Traditional Name: 1-[(1S)-1-benzyl-1-(phenylthio)-2-(p-tolyl)ethyl]benzotriazole Formula: C28H25N3S MolecularWeight: 435.5832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CC2=CC=CC=C2)(N3C4=CC=CC=C4N=N3)SC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C[C@@](CC2=CC=CC=C2)(N3C4=CC=CC=C4N=N3)SC5=CC=CC=C5

InChI

InChI=1S/C28H25N3S/c1-22-16-18-24(19-17-22)21-28(20-23-10-4-2-5-11-23,32-25-12-6-3-7-13-25)31-27-15-9-8-14-26(27)29-30-31/h2-19H,20-21H2,1H3/t28-/m0/s1