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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC(=O)C2=C(N=CC=C2)SCC3=CC=CC(=C3)C#N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)COC(=O)C2=C(N=CC=C2)SCC3=CC=CC(=C3)C#N)C#N

InChI

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