S-(4-pyridin-2-ylsulfanylbutyl) benzenecarbothioate

Systemtic Name: S-(4-pyridin-2-ylsulfanylbutyl) benzenecarbothioate Openeye Name: S-[4-(2-pyridylsulfanyl)butyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[4-(2-pyridinylthio)butyl] ester IUPAC Name: S-(4-pyridin-2-ylsulfanylbutyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-[4-(2-pyridylthio)butyl] ester Formula: C16H17NOS2 MolecularWeight: 303.44228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCCCSC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCCCCSC2=CC=CC=N2

InChI

InChI=1S/C16H17NOS2/c18-16(14-8-2-1-3-9-14)20-13-7-6-12-19-15-10-4-5-11-17-15/h1-5,8-11H,6-7,12-13H2