(4-tert-butylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (4-tert-butylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (4-tert-butylbenzyl) ester Formula: C25H23NO2S MolecularWeight: 401.52062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO2S/c1-25(2,3)20-14-12-18(13-15-20)17-28-24(27)21-9-5-7-11-23(21)29-22-10-6-4-8-19(22)16-26/h4-15H,17H2,1-3H3