2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylpyrimidine

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylpyrimidine Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylpyrimidine CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]pyrimidine IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylpyrimidine Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]pyrimidine Formula: C11H9N3O4S2 MolecularWeight: 311.33686

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N3O4S2/c1-20(17,18)8-3-4-10(9(7-8)14(15)16)19-11-12-5-2-6-13-11/h2-7H,1H3