4-[2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylbutanoylamino]benzamide

Systemtic Name: 4-[2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylbutanoylamino]benzamide Openeye Name: 4-[2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]butanoylamino]benzamide CAS Name: 4-[[2-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-1-oxobutyl]amino]benzamide IUPAC Name: 4-[2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylbutanoylamino]benzamide Traditional Name: 4-[2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]butanoylamino]benzamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CO3)C#N

InChI

InChI=1S/C22H18N6O3S/c1-2-17(21(30)27-13-7-5-12(6-8-13)20(26)29)32-22-15(11-24)18(16-4-3-9-31-16)14(10-23)19(25)28-22/h3-9,17H,2H2,1H3,(H2,25,28)(H2,26,29)(H,27,30)