phenyl 4-(pyridin-3-ylmethylsulfanyl)benzoate

Systemtic Name: phenyl 4-(pyridin-3-ylmethylsulfanyl)benzoate Openeye Name: phenyl 4-(3-pyridylmethylsulfanyl)benzoate CAS Name: 4-(3-pyridinylmethylthio)benzoic acid phenyl ester IUPAC Name: phenyl 4-(pyridin-3-ylmethylsulfanyl)benzoate Traditional Name: 4-(3-pyridylmethylthio)benzoic acid phenyl ester Formula: C19H15NO2S MolecularWeight: 321.3929

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C19H15NO2S/c21-19(22-17-6-2-1-3-7-17)16-8-10-18(11-9-16)23-14-15-5-4-12-20-13-15/h1-13H,14H2