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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethylamino)-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-benzylsulfanyl-6-(2-hydroxyethylamino)pyridine-3,5-dicarbonitrile CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(2-hydroxyethylamino)-6-(phenylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-benzylsulfanyl-6-(2-hydroxyethylamino)pyridine-3,5-dicarbonitrile Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(benzylthio)-6-(2-hydroxyethylamino)dinicotinonitrile Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SCC4=CC=CC=C4)NCCO)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SCC4=CC=CC=C4)NCCO)C#N

InChI

InChI=1S/C23H18N4O3S/c24-11-17-21(16-6-7-19-20(10-16)30-14-29-19)18(12-25)23(27-22(17)26-8-9-28)31-13-15-4-2-1-3-5-15/h1-7,10,28H,8-9,13-14H2,(H,26,27)