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

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

Systemtic Name:2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methyl-3-nitro-phenyl)ethanone
Openeye Name:2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methyl-3-nitro-phenyl)ethanone
CAS Name:2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(4-methyl-3-nitrophenyl)ethanone
IUPAC Name:2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methyl-3-nitrophenyl)ethanone
Traditional Name:2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(4-methyl-3-nitro-phenyl)ethanone
Formula: C15H15N3O3S
MolecularWeight: 317.3629
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NC(=CC(=N2)C)C)[N+](=O)[O-]


Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NC(=CC(=N2)C)C)[N+](=O)[O-]


InChI

InChI=1S/C15H15N3O3S/c1-9-4-5-12(7-13(9)18(20)21)14(19)8-22-15-16-10(2)6-11(3)17-15/h4-7H,8H2,1-3H3


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