S-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl) 3,5-dinitrobenzenecarbothioate

Systemtic Name: S-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl) 3,5-dinitrobenzenecarbothioate Openeye Name: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) 3,5-dinitrobenzenecarbothioate CAS Name: 3,5-dinitrobenzenecarbothioic acid S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) ester IUPAC Name: S-(6-methyl-4-oxo-1H-pyrimidin-2-yl) 3,5-dinitrobenzenecarbothioate Traditional Name: 3,5-dinitrothiobenzoic acid S-(4-keto-6-methyl-1H-pyrimidin-2-yl) ester Formula: C12H8N4O6S MolecularWeight: 336.28012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N4O6S/c1-6-2-10(17)14-12(13-6)23-11(18)7-3-8(15(19)20)5-9(4-7)16(21)22/h2-5H,1H3,(H,13,14,17)