2-azanyl-4-[3-bromanyl-4-(dimethylamino)phenyl]-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-[3-bromanyl-4-(dimethylamino)phenyl]-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-(2-furylmethylsulfanyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-(2-furanylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-(2-furfurylthio)dinicotinonitrile Formula: C20H16BrN5OS MolecularWeight: 454.34294

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CC=CO3)N)C#N)Br

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CC=CO3)N)C#N)Br

InChI

InChI=1S/C20H16BrN5OS/c1-26(2)17-6-5-12(8-16(17)21)18-14(9-22)19(24)25-20(15(18)10-23)28-11-13-4-3-7-27-13/h3-8H,11H2,1-2H3,(H2,24,25)