N-(4,5-dimethyl-2-nitro-phenyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C20H19N3O3S/c1-12-8-17(18(23(25)26)9-13(12)2)21-19(24)11-27-20-10-14(3)15-6-4-5-7-16(15)22-20/h4-10H,11H2,1-3H3,(H,21,24)