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

Systemtic Name: 2-azanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(phenylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-benzylsulfanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(phenylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-benzylsulfanyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylthio)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)dinicotinonitrile Formula: C22H16N4O2S MolecularWeight: 400.45304

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C(=NC(=C3C#N)SCC4=CC=CC=C4)N)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C(=NC(=C3C#N)SCC4=CC=CC=C4)N)C#N

InChI

InChI=1S/C22H16N4O2S/c23-11-16-20(15-6-7-18-19(10-15)28-9-8-27-18)17(12-24)22(26-21(16)25)29-13-14-4-2-1-3-5-14/h1-7,10H,8-9,13H2,(H2,25,26)