S-pyridin-2-yl 3,5-dimethylbenzenecarbothioate

Systemtic Name: S-pyridin-2-yl 3,5-dimethylbenzenecarbothioate Openeye Name: S-(2-pyridyl) 3,5-dimethylbenzenecarbothioate CAS Name: 3,5-dimethylbenzenecarbothioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl 3,5-dimethylbenzenecarbothioate Traditional Name: 3,5-dimethylthiobenzoic acid S-(2-pyridyl) ester Formula: C14H13NOS MolecularWeight: 243.32412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)SC2=CC=CC=N2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)SC2=CC=CC=N2)C

InChI

InChI=1S/C14H13NOS/c1-10-7-11(2)9-12(8-10)14(16)17-13-5-3-4-6-15-13/h3-9H,1-2H3