3-phenyl-3-pyridin-4-yl-propanethioic S-acid

Systemtic Name: 3-phenyl-3-pyridin-4-yl-propanethioic S-acid Openeye Name: 3-phenyl-3-(4-pyridyl)propanethioic S-acid CAS Name: 3-phenyl-3-pyridin-4-ylpropanethioic S-acid IUPAC Name: 3-phenyl-3-pyridin-4-ylpropanethioic S-acid Traditional Name: 3-phenyl-3-(4-pyridyl)thiopropionic acid Formula: C14H13NOS MolecularWeight: 243.32412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)S)C2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)S)C2=CC=NC=C2

InChI

InChI=1S/C14H13NOS/c16-14(17)10-13(11-4-2-1-3-5-11)12-6-8-15-9-7-12/h1-9,13H,10H2,(H,16,17)