2-tert-butyl-N-(2-cyanoethyl)-6-nitro-quinoline-4-carbothioamide

Systemtic Name: 2-tert-butyl-N-(2-cyanoethyl)-6-nitro-quinoline-4-carbothioamide Openeye Name: 2-tert-butyl-N-(2-cyanoethyl)-6-nitro-quinoline-4-carbothioamide CAS Name: 2-tert-butyl-N-(2-cyanoethyl)-6-nitro-4-quinolinecarbothioamide IUPAC Name: 2-tert-butyl-N-(2-cyanoethyl)-6-nitroquinoline-4-carbothioamide Traditional Name: 2-tert-butyl-N-(2-cyanoethyl)-6-nitro-thiocinchoninamide Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=C1)C(=S)NCCC#N

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=C1)C(=S)NCCC#N

InChI

InChI=1S/C17H18N4O2S/c1-17(2,3)15-10-13(16(24)19-8-4-7-18)12-9-11(21(22)23)5-6-14(12)20-15/h5-6,9-10H,4,8H2,1-3H3,(H,19,24)