3-(4-cyanophenyl)propanethioic S-acid

Systemtic Name: 3-(4-cyanophenyl)propanethioic S-acid Openeye Name: 3-(4-cyanophenyl)propanethioic S-acid CAS Name: 3-(4-cyanophenyl)propanethioic S-acid IUPAC Name: 3-(4-cyanophenyl)propanethioic S-acid Traditional Name: 3-(4-cyanophenyl)thiopropionic acid Formula: C10H9NOS MolecularWeight: 191.24956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)S)C#N

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)S)C#N

InChI

InChI=1S/C10H9NOS/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4H,5-6H2,(H,12,13)