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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)-6-(2-hydroxyethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(cyclopropylamino)-6-(2-hydroxyethylthio)dinicotinonitrile Formula: C19H16N4O3S MolecularWeight: 380.42034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=C(C(=C2C#N)C3=CC4=C(C=C3)OCO4)C#N)SCCO

Isomeric SMILES

C1CC1NC2=NC(=C(C(=C2C#N)C3=CC4=C(C=C3)OCO4)C#N)SCCO

InChI

InChI=1S/C19H16N4O3S/c20-8-13-17(11-1-4-15-16(7-11)26-10-25-15)14(9-21)19(27-6-5-24)23-18(13)22-12-2-3-12/h1,4,7,12,24H,2-3,5-6,10H2,(H,22,23)