5-(4-cyanophenyl)sulfanyl-3-oxidanyl-pentanoic acid

Systemtic Name: 5-(4-cyanophenyl)sulfanyl-3-oxidanyl-pentanoic acid Openeye Name: 5-(4-cyanophenyl)sulfanyl-3-hydroxy-pentanoic acid CAS Name: 5-[(4-cyanophenyl)thio]-3-hydroxypentanoic acid IUPAC Name: 5-(4-cyanophenyl)sulfanyl-3-hydroxypentanoic acid Traditional Name: 5-[(4-cyanophenyl)thio]-3-hydroxy-valeric acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)SCCC(CC(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)SCCC(CC(=O)O)O

InChI

InChI=1S/C12H13NO3S/c13-8-9-1-3-11(4-2-9)17-6-5-10(14)7-12(15)16/h1-4,10,14H,5-7H2,(H,15,16)