2-(1-methylpyrazol-4-yl)-N-(2-sulfanylethyl)quinoline-4-carboxamide

Systemtic Name: 2-(1-methylpyrazol-4-yl)-N-(2-sulfanylethyl)quinoline-4-carboxamide Openeye Name: 2-(1-methylpyrazol-4-yl)-N-(2-sulfanylethyl)quinoline-4-carboxamide CAS Name: N-(2-mercaptoethyl)-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: 2-(1-methylpyrazol-4-yl)-N-(2-sulfanylethyl)quinoline-4-carboxamide Traditional Name: N-(2-mercaptoethyl)-2-(1-methylpyrazol-4-yl)cinchoninamide Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCS

Isomeric SMILES

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCS

InChI

InChI=1S/C16H16N4OS/c1-20-10-11(9-18-20)15-8-13(16(21)17-6-7-22)12-4-2-3-5-14(12)19-15/h2-5,8-10,22H,6-7H2,1H3,(H,17,21)