2-azanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C(=NC(=C3C#N)SCCO)N)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C(=NC(=C3C#N)SCCO)N)C#N

InChI

InChI=1S/C17H14N4O3S/c18-8-11-15(10-1-2-13-14(7-10)24-5-4-23-13)12(9-19)17(21-16(11)20)25-6-3-22/h1-2,7,22H,3-6H2,(H2,20,21)