2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-(2-sulfanylethyl)quinoline-4-carboxamide

Systemtic Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-(2-sulfanylethyl)quinoline-4-carboxamide Openeye Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-(2-sulfanylethyl)quinoline-4-carboxamide CAS Name: 2-(1-ethyl-5-methyl-4-pyrazolyl)-N-(2-mercaptoethyl)-4-quinolinecarboxamide IUPAC Name: 2-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-sulfanylethyl)quinoline-4-carboxamide Traditional Name: 2-(1-ethyl-5-methyl-pyrazol-4-yl)-N-(2-mercaptoethyl)cinchoninamide Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCS)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCS)C

InChI

InChI=1S/C18H20N4OS/c1-3-22-12(2)15(11-20-22)17-10-14(18(23)19-8-9-24)13-6-4-5-7-16(13)21-17/h4-7,10-11,24H,3,8-9H2,1-2H3,(H,19,23)