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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-hydroxyethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(2-hydroxyethylthio)dinicotinonitrile Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SCCO)N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SCCO)N)C#N

InChI

InChI=1S/C16H12N4O3S/c17-6-10-14(9-1-2-12-13(5-9)23-8-22-12)11(7-18)16(20-15(10)19)24-4-3-21/h1-2,5,21H,3-4,8H2,(H2,19,20)