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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(phenylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-(phenylthio)dinicotinonitrile Formula: C20H12N4O2S MolecularWeight: 372.39988

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SC4=CC=CC=C4)N)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SC4=CC=CC=C4)N)C#N

InChI

InChI=1S/C20H12N4O2S/c21-9-14-18(12-6-7-16-17(8-12)26-11-25-16)15(10-22)20(24-19(14)23)27-13-4-2-1-3-5-13/h1-8H,11H2,(H2,23,24)