2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[(3-cyano-5,8-dimethyl-2-quinolyl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[(3-cyano-5,8-dimethyl-2-quinolinyl)thio]-N-(2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanyl-N-(2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[(3-cyano-5,8-dimethyl-2-quinolyl)thio]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C)C#N

Isomeric SMILES

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C)C#N

InChI

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