(5-phenyl-1-phenylsulfanyl-pent-1-yn-3-yl) benzoate

Systemtic Name: (5-phenyl-1-phenylsulfanyl-pent-1-yn-3-yl) benzoate Openeye Name: (1-phenethyl-3-phenylsulfanyl-prop-2-ynyl) benzoate CAS Name: benzoic acid [5-phenyl-1-(phenylthio)pent-1-yn-3-yl] ester IUPAC Name: (5-phenyl-1-phenylsulfanylpent-1-yn-3-yl) benzoate Traditional Name: benzoic acid [1-phenethyl-3-(phenylthio)prop-2-ynyl] ester Formula: C24H20O2S MolecularWeight: 372.4794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C#CSC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(C#CSC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H20O2S/c25-24(21-12-6-2-7-13-21)26-22(17-16-20-10-4-1-5-11-20)18-19-27-23-14-8-3-9-15-23/h1-15,22H,16-17H2