2-(4-cyanophenyl)-4-methyl-3-sulfanyl-pentanoic acid

Systemtic Name: 2-(4-cyanophenyl)-4-methyl-3-sulfanyl-pentanoic acid Openeye Name: 2-(4-cyanophenyl)-4-methyl-3-sulfanyl-pentanoic acid CAS Name: 2-(4-cyanophenyl)-3-mercapto-4-methylpentanoic acid IUPAC Name: 2-(4-cyanophenyl)-4-methyl-3-sulfanylpentanoic acid Traditional Name: 2-(4-cyanophenyl)-3-mercapto-4-methyl-valeric acid Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C1=CC=C(C=C1)C#N)C(=O)O)S

Isomeric SMILES

CC(C)C(C(C1=CC=C(C=C1)C#N)C(=O)O)S

InChI

InChI=1S/C13H15NO2S/c1-8(2)12(17)11(13(15)16)10-5-3-9(7-14)4-6-10/h3-6,8,11-12,17H,1-2H3,(H,15,16)