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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methyl-5-nitro-phenyl)propanamide CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(2-methyl-5-nitrophenyl)propanamide IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2-methyl-5-nitrophenyl)propanamide Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-N-(2-methyl-5-nitro-phenyl)propionamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3S/c1-10-4-5-13(20(22)23)9-14(10)19-15(21)6-7-24-16-17-11(2)8-12(3)18-16/h4-5,8-9H,6-7H2,1-3H3,(H,19,21)