2-(1-ethylpyrazol-4-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]quinoline-4-carboxamide

Systemtic Name: 2-(1-ethylpyrazol-4-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]quinoline-4-carboxamide Openeye Name: 2-(1-ethylpyrazol-4-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(1-ethyl-4-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-ethylpyrazol-4-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]quinoline-4-carboxamide Traditional Name: 2-(1-ethylpyrazol-4-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]cinchoninamide Formula: C28H23N5O3S MolecularWeight: 509.57892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)C)[N+](=O)[O-]

InChI

InChI=1S/C28H23N5O3S/c1-3-32-17-19(16-29-32)27-15-25(24-6-4-5-7-26(24)31-27)28(34)30-20-12-21(33(35)36)14-23(13-20)37-22-10-8-18(2)9-11-22/h4-17H,3H2,1-2H3,(H,30,34)