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

Systemtic Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(1,3-dimethyl-4-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-dimethylpyrazol-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:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN(N=C5C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN(N=C5C)C

InChI

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