methyl 2-phenyl-4-(pyridin-3-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 2-phenyl-4-(pyridin-3-ylsulfanylmethyl)benzoate Openeye Name: methyl 2-phenyl-4-(3-pyridylsulfanylmethyl)benzoate CAS Name: 2-phenyl-4-[(3-pyridinylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-phenyl-4-(pyridin-3-ylsulfanylmethyl)benzoate Traditional Name: 2-phenyl-4-[(3-pyridylthio)methyl]benzoic acid methyl ester Formula: C20H17NO2S MolecularWeight: 335.41948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)CSC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)CSC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO2S/c1-23-20(22)18-10-9-15(14-24-17-8-5-11-21-13-17)12-19(18)16-6-3-2-4-7-16/h2-13H,14H2,1H3