S-(4,6-dimethylpyrimidin-2-yl) 3,5-dinitrobenzenecarbothioate

Systemtic Name: S-(4,6-dimethylpyrimidin-2-yl) 3,5-dinitrobenzenecarbothioate Openeye Name: S-(4,6-dimethylpyrimidin-2-yl) 3,5-dinitrobenzenecarbothioate CAS Name: 3,5-dinitrobenzenecarbothioic acid S-(4,6-dimethyl-2-pyrimidinyl) ester IUPAC Name: S-(4,6-dimethylpyrimidin-2-yl) 3,5-dinitrobenzenecarbothioate Traditional Name: 3,5-dinitrothiobenzoic acid S-(4,6-dimethylpyrimidin-2-yl) ester Formula: C13H10N4O5S MolecularWeight: 334.3073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O5S/c1-7-3-8(2)15-13(14-7)23-12(18)9-4-10(16(19)20)6-11(5-9)17(21)22/h3-6H,1-2H3