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

Systemtic Name: 2-azanyl-6-(furan-2-ylmethylsulfanyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-(2-furylmethylsulfanyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-(2-furanylmethylthio)-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(furan-2-ylmethylsulfanyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-(2-furfurylthio)-4-(3,4,5-trimethoxyphenyl)dinicotinonitrile Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)SCC3=CC=CO3)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)SCC3=CC=CO3)N)C#N

InChI

InChI=1S/C21H18N4O4S/c1-26-16-7-12(8-17(27-2)19(16)28-3)18-14(9-22)20(24)25-21(15(18)10-23)30-11-13-5-4-6-29-13/h4-8H,11H2,1-3H3,(H2,24,25)