S-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl) 3-nitrobenzenecarbothioate

Systemtic Name: S-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl) 3-nitrobenzenecarbothioate Openeye Name: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) ester IUPAC Name: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-(4-keto-6-methyl-1H-pyrimidin-2-yl) ester Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O4S/c1-7-5-10(16)14-12(13-7)20-11(17)8-3-2-4-9(6-8)15(18)19/h2-6H,1H3,(H,13,14,16)