2-azanyl-4-(3,4-dimethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(3,4-dimethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(2-furylmethylsulfanyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(2-furanylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(3,4-dimethoxyphenyl)-6-(2-furfurylthio)dinicotinonitrile Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CC=CO3)N)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CC=CO3)N)C#N)OC

InChI

InChI=1S/C20H16N4O3S/c1-25-16-6-5-12(8-17(16)26-2)18-14(9-21)19(23)24-20(15(18)10-22)28-11-13-4-3-7-27-13/h3-8H,11H2,1-2H3,(H2,23,24)