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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(methylamino)-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-benzylsulfanyl-6-(methylamino)pyridine-3,5-dicarbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(methylamino)-6-(phenylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-benzylsulfanyl-6-(methylamino)pyridine-3,5-dicarbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(benzylthio)-6-(methylamino)dinicotinonitrile Formula: C22H16N4O2S MolecularWeight: 400.45304

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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=C4

Isomeric SMILES

CNC1=NC(=C(C(=C1C#N)C2=CC3=C(C=C2)OCO3)C#N)SCC4=CC=CC=C4

InChI

InChI=1S/C22H16N4O2S/c1-25-21-16(10-23)20(15-7-8-18-19(9-15)28-13-27-18)17(11-24)22(26-21)29-12-14-5-3-2-4-6-14/h2-9H,12-13H2,1H3,(H,25,26)