2-(4-methyl-6-oxidanidyl-pyrimidin-2-yl)sulfanyl-5-nitro-benzoate

Systemtic Name: 2-(4-methyl-6-oxidanidyl-pyrimidin-2-yl)sulfanyl-5-nitro-benzoate Openeye Name: 2-(4-methyl-6-oxido-pyrimidin-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-6-oxido-2-pyrimidinyl)thio]-5-nitrobenzoate IUPAC Name: 2-(4-methyl-6-oxidopyrimidin-2-yl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(4-methyl-6-oxido-pyrimidin-2-yl)thio]-5-nitro-benzoate Formula: C12H7N3O5S-2 MolecularWeight: 305.26608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O5S/c1-6-4-10(16)14-12(13-6)21-9-3-2-7(15(19)20)5-8(9)11(17)18/h2-5H,1H3,(H,17,18)(H,13,14,16)/p-2