N-(2-methyl-4-nitro-phenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[(3,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[(3,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-[(3,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-12-7-14(3)20-16(8-12)9-15(4)21(23-20)28-11-19(25)22-18-6-5-17(24(26)27)10-13(18)2/h5-10H,11H2,1-4H3,(H,22,25)