N-(2-chloranyl-4-nitro-phenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(2,6-dimethyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(2,6-dimethylpyrimidin-4-yl)thio]propionamide Formula: C15H15ClN4O3S MolecularWeight: 366.8226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN4O3S/c1-8-6-14(18-10(3)17-8)24-9(2)15(21)19-13-5-4-11(20(22)23)7-12(13)16/h4-7,9H,1-3H3,(H,19,21)