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

Systemtic Name: 2-azanyl-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-benzylsulfanyl-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-6-(phenylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-benzylsulfanyl-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylthio)-4-(2-methylol-2,3-dihydro-1,4-benzodioxin-6-yl)dinicotinonitrile Formula: C23H18N4O3S MolecularWeight: 430.47902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SCC4=CC=CC=C4)N)C#N)CO

Isomeric SMILES

C1C(OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SCC4=CC=CC=C4)N)C#N)CO

InChI

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