N-(2-cyano-4-nitro-phenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C)C

InChI

InChI=1S/C21H18N4O3S/c1-12-6-14(3)21-17(7-12)13(2)8-20(24-21)29-11-19(26)23-18-5-4-16(25(27)28)9-15(18)10-22/h4-9H,11H2,1-3H3,(H,23,26)