3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide

Systemtic Name: 3-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C18H18N4O3S/c1-11-4-5-14(22(24)25)9-16(11)21-17(23)6-7-26-18-15(10-19)12(2)8-13(3)20-18/h4-5,8-9H,6-7H2,1-3H3,(H,21,23)