N-(4-cyano-2-methyl-pyrazol-3-yl)-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-(4-cyano-2-methyl-3-pyrazolyl)-2-(2-quinolinylthio)acetamide IUPAC Name: N-(4-cyano-2-methylpyrazol-3-yl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-(2-quinolylthio)acetamide Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C#N)NC(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CN1C(=C(C=N1)C#N)NC(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H13N5OS/c1-21-16(12(8-17)9-18-21)20-14(22)10-23-15-7-6-11-4-2-3-5-13(11)19-15/h2-7,9H,10H2,1H3,(H,20,22)