S-[4-[2-[2-(2-phenylethynyl)pyrimidin-5-yl]ethynyl]phenyl] ethanethioate

Systemtic Name: S-[4-[2-[2-(2-phenylethynyl)pyrimidin-5-yl]ethynyl]phenyl] ethanethioate Openeye Name: S-[4-[2-[2-(2-phenylethynyl)pyrimidin-5-yl]ethynyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-[2-(2-phenylethynyl)-5-pyrimidinyl]ethynyl]phenyl] ester IUPAC Name: S-[4-[2-[2-(2-phenylethynyl)pyrimidin-5-yl]ethynyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-[2-(2-phenylethynyl)pyrimidin-5-yl]ethynyl]phenyl] ester Formula: C22H14N2OS MolecularWeight: 354.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=C(C=C1)C#CC2=CN=C(N=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1=CC=C(C=C1)C#CC2=CN=C(N=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C22H14N2OS/c1-17(25)26-21-12-9-19(10-13-21)7-8-20-15-23-22(24-16-20)14-11-18-5-3-2-4-6-18/h2-6,9-10,12-13,15-16H,1H3