S-(5-pyridin-2-ylsulfanylpentyl) benzenecarbothioate

Systemtic Name: S-(5-pyridin-2-ylsulfanylpentyl) benzenecarbothioate Openeye Name: S-[5-(2-pyridylsulfanyl)pentyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[5-(2-pyridinylthio)pentyl] ester IUPAC Name: S-(5-pyridin-2-ylsulfanylpentyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-[5-(2-pyridylthio)pentyl] ester Formula: C17H19NOS2 MolecularWeight: 317.46886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCCCCSC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCCCCCSC2=CC=CC=N2

InChI

InChI=1S/C17H19NOS2/c19-17(15-9-3-1-4-10-15)21-14-8-2-7-13-20-16-11-5-6-12-18-16/h1,3-6,9-12H,2,7-8,13-14H2