S-(4,6-dimethylpyrimidin-2-yl) 3-nitrobenzenecarbothioate

Systemtic Name: S-(4,6-dimethylpyrimidin-2-yl) 3-nitrobenzenecarbothioate Openeye Name: S-(4,6-dimethylpyrimidin-2-yl) 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-(4,6-dimethyl-2-pyrimidinyl) ester IUPAC Name: S-(4,6-dimethylpyrimidin-2-yl) 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-(4,6-dimethylpyrimidin-2-yl) ester Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3S/c1-8-6-9(2)15-13(14-8)20-12(17)10-4-3-5-11(7-10)16(18)19/h3-7H,1-2H3