2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(3-cyano-7-methyl-quinolin-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[(3-cyano-7-methyl-2-quinolyl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[(3-cyano-7-methyl-2-quinolinyl)thio]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[(3-cyano-7-methyl-2-quinolyl)thio]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C)C#N

InChI

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