N-(2-chloranyl-5-nitro-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]propionamide Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SC(C)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C16H17ClN4O3S/c1-8-9(2)18-16(19-10(8)3)25-11(4)15(22)20-14-7-12(21(23)24)5-6-13(14)17/h5-7,11H,1-4H3,(H,20,22)