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

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[(4,8-dimethyl-2-quinolyl)thio]acetamide Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H16N4O3S/c1-12-4-3-5-16-13(2)8-19(23-20(12)16)28-11-18(25)22-17-7-6-15(24(26)27)9-14(17)10-21/h3-9H,11H2,1-2H3,(H,22,25)