(4-cyanophenyl)methyl 2-[(4-cyanophenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 2-[(4-cyanophenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 2-[(4-cyanophenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(4-cyanophenyl)methylthio]-3-pyridinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[(4-cyanophenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(4-cyanobenzyl)thio]nicotinic acid (4-cyanobenzyl) ester Formula: C22H15N3O2S MolecularWeight: 385.4384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)C#N)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=C(N=C1)SCC2=CC=C(C=C2)C#N)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H15N3O2S/c23-12-16-3-7-18(8-4-16)14-27-22(26)20-2-1-11-25-21(20)28-15-19-9-5-17(13-24)6-10-19/h1-11H,14-15H2