(2,5-dimethylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (2,5-dimethylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (2,5-dimethylbenzyl) ester Formula: C23H19NO2S MolecularWeight: 373.46746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C23H19NO2S/c1-16-11-12-17(2)19(13-16)15-26-23(25)20-8-4-6-10-22(20)27-21-9-5-3-7-18(21)14-24/h3-13H,15H2,1-2H3