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

Systemtic Name: 2-(1-ethylpyrazol-4-yl)-N-(2-sulfanylethyl)quinoline-4-carboxamide Openeye Name: 2-(1-ethylpyrazol-4-yl)-N-(2-sulfanylethyl)quinoline-4-carboxamide CAS Name: 2-(1-ethyl-4-pyrazolyl)-N-(2-mercaptoethyl)-4-quinolinecarboxamide IUPAC Name: 2-(1-ethylpyrazol-4-yl)-N-(2-sulfanylethyl)quinoline-4-carboxamide Traditional Name: 2-(1-ethylpyrazol-4-yl)-N-(2-mercaptoethyl)cinchoninamide Formula: C17H18N4OS MolecularWeight: 326.41602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4OS/c1-2-21-11-12(10-19-21)16-9-14(17(22)18-7-8-23)13-5-3-4-6-15(13)20-16/h3-6,9-11,23H,2,7-8H2,1H3,(H,18,22)