4-[4-(2-hydroxyethyloxy)phenyl]-2-(methylamino)-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 4-[4-(2-hydroxyethyloxy)phenyl]-2-(methylamino)-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-benzylsulfanyl-4-[4-(2-hydroxyethoxy)phenyl]-6-(methylamino)pyridine-3,5-dicarbonitrile CAS Name: 4-[4-(2-hydroxyethoxy)phenyl]-2-(methylamino)-6-(phenylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-benzylsulfanyl-4-[4-(2-hydroxyethoxy)phenyl]-6-(methylamino)pyridine-3,5-dicarbonitrile Traditional Name: 2-(benzylthio)-4-[4-(2-hydroxyethoxy)phenyl]-6-(methylamino)dinicotinonitrile Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=C(C(=C1C#N)C2=CC=C(C=C2)OCCO)C#N)SCC3=CC=CC=C3

Isomeric SMILES

CNC1=NC(=C(C(=C1C#N)C2=CC=C(C=C2)OCCO)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C23H20N4O2S/c1-26-22-19(13-24)21(17-7-9-18(10-8-17)29-12-11-28)20(14-25)23(27-22)30-15-16-5-3-2-4-6-16/h2-10,28H,11-12,15H2,1H3,(H,26,27)