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

Systemtic Name: S-(2-pyridin-4-ylethyl) benzenecarbothioate Openeye Name: S-[2-(4-pyridyl)ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-(2-pyridin-4-ylethyl) ester IUPAC Name: S-(2-pyridin-4-ylethyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-(4-pyridyl)ethyl] ester Formula: C14H13NOS MolecularWeight: 243.32412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCC2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCCC2=CC=NC=C2

InChI

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