2-[[4-(2-cyanophenyl)phenyl]methyl]-5-sulfanyl-pentanoic acid

Systemtic Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-5-sulfanyl-pentanoic acid CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-5-mercaptopentanoic acid IUPAC Name: 2-[[4-(2-cyanophenyl)phenyl]methyl]-5-sulfanylpentanoic acid Traditional Name: 2-[4-(2-cyanophenyl)benzyl]-5-mercapto-valeric acid Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CC(CCCS)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CC(CCCS)C(=O)O

InChI

InChI=1S/C19H19NO2S/c20-13-17-4-1-2-6-18(17)15-9-7-14(8-10-15)12-16(19(21)22)5-3-11-23/h1-2,4,6-10,16,23H,3,5,11-12H2,(H,21,22)