2-(diphenylmethyl)sulfanylethyl pyridine-3-carboxylate

Systemtic Name: 2-(diphenylmethyl)sulfanylethyl pyridine-3-carboxylate Openeye Name: 2-benzhydrylsulfanylethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[(diphenylmethyl)thio]ethyl ester IUPAC Name: 2-benzhydrylsulfanylethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(benzhydrylthio)ethyl ester Formula: C21H19NO2S MolecularWeight: 349.44606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCCOC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCCOC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H19NO2S/c23-21(19-12-7-13-22-16-19)24-14-15-25-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-13,16,20H,14-15H2