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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=C(C(=CC(=N2)C)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=C(C(=CC(=N2)C)C)C#N)[N+](=O)[O-]

InChI

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