2-(furan-2-yl)-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]quinoline-4-carboxamide

Systemtic Name: 2-(furan-2-yl)-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]quinoline-4-carboxamide Openeye Name: 2-(2-furyl)-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]quinoline-4-carboxamide CAS Name: 2-(2-furanyl)-N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(furan-2-yl)-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]quinoline-4-carboxamide Traditional Name: 2-(2-furyl)-N-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]cinchoninamide Formula: C25H16N6O4S MolecularWeight: 496.49734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)NN=CC4=CC(=C(C=C4)SC5=NC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)N/N=C/C4=CC(=C(C=C4)SC5=NC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C25H16N6O4S/c32-24(18-14-20(22-7-3-12-35-22)29-19-6-2-1-5-17(18)19)30-28-15-16-8-9-23(21(13-16)31(33)34)36-25-26-10-4-11-27-25/h1-15H,(H,30,32)/b28-15+