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

Systemtic Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]quinoline-4-carboxamide Openeye Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(1-ethyl-5-methyl-4-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-ethyl-5-methylpyrazol-4-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]quinoline-4-carboxamide Traditional Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]cinchoninamide Formula: C29H25N5O3S MolecularWeight: 523.6055

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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-])C

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-])C

InChI

InChI=1S/C29H25N5O3S/c1-4-33-19(3)26(17-30-33)28-16-25(24-7-5-6-8-27(24)32-28)29(35)31-20-13-21(34(36)37)15-23(14-20)38-22-11-9-18(2)10-12-22/h5-17H,4H2,1-3H3,(H,31,35)