4-[2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[2-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C21H15N5O4S MolecularWeight: 433.4399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N5O4S/c1-11(19(27)25-13-6-4-12(5-7-13)21(28)29)31-20-15(10-23)17(16-3-2-8-30-16)14(9-22)18(24)26-20/h2-8,11H,1H3,(H2,24,26)(H,25,27)(H,28,29)