S-pyridin-2-yl 4-ethynylbenzenecarbothioate

Systemtic Name: S-pyridin-2-yl 4-ethynylbenzenecarbothioate Openeye Name: S-(2-pyridyl) 4-ethynylbenzenecarbothioate CAS Name: 4-ethynylbenzenecarbothioic acid S-(2-pyridinyl) ester IUPAC Name: S-pyridin-2-yl 4-ethynylbenzenecarbothioate Traditional Name: 4-ethynylthiobenzoic acid S-(2-pyridyl) ester Formula: C14H9NOS MolecularWeight: 239.29236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9NOS/c1-2-11-6-8-12(9-7-11)14(16)17-13-5-3-4-10-15-13/h1,3-10H