3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C20H20N4O3S/c1-13-6-7-16(24(26)27)11-18(13)22-19(25)8-9-28-20-15(12-21)10-14-4-2-3-5-17(14)23-20/h6-7,10-11H,2-5,8-9H2,1H3,(H,22,25)