(2S)-N-(2-chloranyl-4-nitro-phenyl)-2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(2-chloranyl-4-nitro-phenyl)-2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(2-chloro-4-nitro-phenyl)-2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: (2S)-N-(2-chloro-4-nitrophenyl)-2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(2-chloro-4-nitrophenyl)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: (2S)-N-(2-chloro-4-nitro-phenyl)-2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]propionamide Formula: C16H14ClN5O3S MolecularWeight: 391.83206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=NC(=N1)C)S[C@@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C#N

InChI

InChI=1S/C16H14ClN5O3S/c1-8-12(7-18)16(20-10(3)19-8)26-9(2)15(23)21-14-5-4-11(22(24)25)6-13(14)17/h4-6,9H,1-3H3,(H,21,23)/t9-/m0/s1