1-[3-nitro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-phenyl]ethanone Openeye Name: 1-[3-nitro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-phenyl]ethanone CAS Name: 1-[3-nitro-4-[(4,5,6-trimethyl-2-pyrimidinyl)thio]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanone Traditional Name: 1-[3-nitro-4-[(4,5,6-trimethylpyrimidin-2-yl)thio]phenyl]ethanone Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N=C1C)SC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H15N3O3S/c1-8-9(2)16-15(17-10(8)3)22-14-6-5-12(11(4)19)7-13(14)18(20)21/h5-7H,1-4H3