4-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethylsulfanyl)-6-(methylamino)pyridine-3,5-dicarbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethylsulfanyl)-6-(methylamino)pyridine-3,5-dicarbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethylsulfanyl)-6-(methylamino)pyridine-3,5-dicarbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethylthio)-6-(methylamino)pyridine-3,5-dicarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethylsulfanyl)-6-(methylamino)pyridine-3,5-dicarbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethylthio)-6-(methylamino)dinicotinonitrile Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)SCCO

Isomeric SMILES

CNC1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)SCCO

InChI

InChI=1S/C17H14N4O3S/c1-20-16-11(7-18)15(12(8-19)17(21-16)25-5-4-22)10-2-3-13-14(6-10)24-9-23-13/h2-3,6,22H,4-5,9H2,1H3,(H,20,21)