2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxy-3-nitro-phenyl)ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxy-3-nitro-phenyl)ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxy-3-nitro-phenyl)ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(4-methoxy-3-nitrophenyl)ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxy-3-nitrophenyl)ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(4-methoxy-3-nitro-phenyl)ethanone Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4S/c1-9-6-10(2)17-15(16-9)23-8-13(19)11-4-5-14(22-3)12(7-11)18(20)21/h4-7H,8H2,1-3H3