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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(methylamino)-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(methylamino)-6-(2-pyridylmethylsulfanyl)pyridine-3,5-dicarbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(methylamino)-6-(2-pyridinylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(methylamino)-6-(pyridin-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(methylamino)-6-(2-pyridylmethylthio)dinicotinonitrile Formula: C21H15N5O2S MolecularWeight: 401.4411

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)SCC4=CC=CC=N4

Isomeric SMILES

CNC1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)SCC4=CC=CC=N4

InChI

InChI=1S/C21H15N5O2S/c1-24-20-15(9-22)19(13-5-6-17-18(8-13)28-12-27-17)16(10-23)21(26-20)29-11-14-4-2-3-7-25-14/h2-8H,11-12H2,1H3,(H,24,26)