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

Systemtic Name: S-(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl) 3-nitrobenzenecarbothioate Openeye Name: S-(6-methyl-2-thioxo-1H-pyrimidin-4-yl) 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl) ester IUPAC Name: S-(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl) 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-(6-methyl-2-thioxo-1H-pyrimidin-4-yl) ester Formula: C12H9N3O3S2 MolecularWeight: 307.34816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O3S2/c1-7-5-10(14-12(19)13-7)20-11(16)8-3-2-4-9(6-8)15(17)18/h2-6H,1H3,(H,13,14,19)