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

Systemtic Name: 2-(2-hydroxyethylsulfanyl)-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]pyridine-3,5-dicarbonitrile Openeye Name: 2-(2-hydroxyethylsulfanyl)-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]pyridine-3,5-dicarbonitrile CAS Name: 2-(2-hydroxyethylthio)-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]pyridine-3,5-dicarbonitrile IUPAC Name: 2-(2-hydroxyethylsulfanyl)-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]pyridine-3,5-dicarbonitrile Traditional Name: 2-(2-hydroxyethylthio)-4-(2-methylol-2,3-dihydro-1,4-benzodioxin-6-yl)dinicotinonitrile Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(O1)C=C(C=C2)C3=C(C(=NC=C3C#N)SCCO)C#N)CO

Isomeric SMILES

C1C(OC2=C(O1)C=C(C=C2)C3=C(C(=NC=C3C#N)SCCO)C#N)CO

InChI

InChI=1S/C18H15N3O4S/c19-6-12-8-21-18(26-4-3-22)14(7-20)17(12)11-1-2-15-16(5-11)24-10-13(9-23)25-15/h1-2,5,8,13,22-23H,3-4,9-10H2