[4-(4-cyanophenyl)phenyl] 2-(diphenylmethyl)sulfanylethanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-(diphenylmethyl)sulfanylethanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-benzhydrylsulfanylacetate CAS Name: 2-[(diphenylmethyl)thio]acetic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-benzhydrylsulfanylacetate Traditional Name: 2-(benzhydrylthio)acetic acid [4-(4-cyanophenyl)phenyl] ester Formula: C28H21NO2S MolecularWeight: 435.53684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H21NO2S/c29-19-21-11-13-22(14-12-21)23-15-17-26(18-16-23)31-27(30)20-32-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-18,28H,20H2