2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]-N-(4-nitrophenyl)acetamide Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H13N5O3S/c1-9-13(7-16)15(18-10(2)17-9)24-8-14(21)19-11-3-5-12(6-4-11)20(22)23/h3-6H,8H2,1-2H3,(H,19,21)