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

Systemtic Name: 2-(ethylamino)-4-[4-(2-hydroxyethyloxy)phenyl]-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-benzylsulfanyl-6-(ethylamino)-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile CAS Name: 2-(ethylamino)-4-[4-(2-hydroxyethoxy)phenyl]-6-(phenylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-benzylsulfanyl-6-(ethylamino)-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile Traditional Name: 2-(benzylthio)-6-(ethylamino)-4-[4-(2-hydroxyethoxy)phenyl]dinicotinonitrile Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=C(C(=C1C#N)C2=CC=C(C=C2)OCCO)C#N)SCC3=CC=CC=C3

Isomeric SMILES

CCNC1=NC(=C(C(=C1C#N)C2=CC=C(C=C2)OCCO)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C24H22N4O2S/c1-2-27-23-20(14-25)22(18-8-10-19(11-9-18)30-13-12-29)21(15-26)24(28-23)31-16-17-6-4-3-5-7-17/h3-11,29H,2,12-13,16H2,1H3,(H,27,28)