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

Systemtic Name: 2-(4-methylphenyl)-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]quinoline-4-carboxamide Openeye Name: N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 2-(4-methylphenyl)-N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(4-methylphenyl)-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]quinoline-4-carboxamide Traditional Name: N-[(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]-2-(p-tolyl)cinchoninamide Formula: C28H20N6O3S MolecularWeight: 520.5618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=CC4=CC(=C(C=C4)SC5=NC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=CC(=C(C=C4)SC5=NC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C28H20N6O3S/c1-18-7-10-20(11-8-18)24-16-22(21-5-2-3-6-23(21)32-24)27(35)33-31-17-19-9-12-26(25(15-19)34(36)37)38-28-29-13-4-14-30-28/h2-17H,1H3,(H,33,35)/b31-17+