(2R)-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: (2R)-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: (2R)-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: (2R)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)S[C@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H18N4O3S/c1-10-7-12(3)20-18(15(10)9-19)26-13(4)17(23)21-16-6-5-14(22(24)25)8-11(16)2/h5-8,13H,1-4H3,(H,21,23)/t13-/m1/s1