S-(4-methylpyrimidin-2-yl) 3-nitrobenzenecarbothioate

Systemtic Name: S-(4-methylpyrimidin-2-yl) 3-nitrobenzenecarbothioate Openeye Name: S-(4-methylpyrimidin-2-yl) 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-(4-methyl-2-pyrimidinyl) ester IUPAC Name: S-(4-methylpyrimidin-2-yl) 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-(4-methylpyrimidin-2-yl) ester Formula: C12H9N3O3S MolecularWeight: 275.28316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)SC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O3S/c1-8-5-6-13-12(14-8)19-11(16)9-3-2-4-10(7-9)15(17)18/h2-7H,1H3