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

Systemtic Name: 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-nitro-phenyl]ethanone Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C14H13N3O3S/c1-8-6-9(2)16-14(15-8)21-13-5-4-11(10(3)18)7-12(13)17(19)20/h4-7H,1-3H3