S-(4-methylphenyl) 5-(2-phenylethynyl)furan-2-carbothioate

Systemtic Name: S-(4-methylphenyl) 5-(2-phenylethynyl)furan-2-carbothioate Openeye Name: S-(p-tolyl) 5-(2-phenylethynyl)furan-2-carbothioate CAS Name: 5-(2-phenylethynyl)-2-furancarbothioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 5-(2-phenylethynyl)furan-2-carbothioate Traditional Name: 5-(2-phenylethynyl)furan-2-carbothioic acid S-(p-tolyl) ester Formula: C20H14O2S MolecularWeight: 318.38896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C2=CC=C(O2)C#CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C2=CC=C(O2)C#CC3=CC=CC=C3

InChI

InChI=1S/C20H14O2S/c1-15-7-12-18(13-8-15)23-20(21)19-14-11-17(22-19)10-9-16-5-3-2-4-6-16/h2-8,11-14H,1H3