N-(2-sulfanylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(2-sulfanylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(2-sulfanylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(2-mercaptoethyl)-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(2-sulfanylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(2-mercaptoethyl)-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCS

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCS

InChI

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