S-[4-[2-[2-ethyl-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate

Systemtic Name: S-[4-[2-[2-ethyl-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate Openeye Name: S-[4-[2-[2-ethyl-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-[2-ethyl-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ester IUPAC Name: S-[4-[2-[2-ethyl-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-[2-ethyl-4-(2-phenylethynyl)phenyl]ethynyl]phenyl] ester Formula: C26H20OS MolecularWeight: 380.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C#CC2=CC=CC=C2)C#CC3=CC=C(C=C3)SC(=O)C

Isomeric SMILES

CCC1=C(C=CC(=C1)C#CC2=CC=CC=C2)C#CC3=CC=C(C=C3)SC(=O)C

InChI

InChI=1S/C26H20OS/c1-3-24-19-23(10-9-21-7-5-4-6-8-21)12-16-25(24)15-11-22-13-17-26(18-14-22)28-20(2)27/h4-8,12-14,16-19H,3H2,1-2H3