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(4-cyanophenyl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate

(4-cyanophenyl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name:(4-cyanophenyl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate
Openeye Name:(4-cyanophenyl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate
CAS Name:2-[(4-cyanophenyl)methylthio]benzoic acid (4-cyanophenyl)methyl ester
IUPAC Name:(4-cyanophenyl)methyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate
Traditional Name:2-[(4-cyanobenzyl)thio]benzoic acid (4-cyanobenzyl) ester
Formula: C23H16N2O2S
MolecularWeight: 384.45034
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C#N)SCC3=CC=C(C=C3)C#N


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C#N)SCC3=CC=C(C=C3)C#N


InChI

InChI=1S/C23H16N2O2S/c24-13-17-5-9-19(10-6-17)15-27-23(26)21-3-1-2-4-22(21)28-16-20-11-7-18(14-25)8-12-20/h1-12H,15-16H2


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