3-(4-nitrophenyl)-7-sulfanylidene-8H-pyrimido[4,5-c]pyridazin-5-one

Systemtic Name: 3-(4-nitrophenyl)-7-sulfanylidene-8H-pyrimido[4,5-c]pyridazin-5-one Openeye Name: 3-(4-nitrophenyl)-7-thioxo-8H-pyrimido[4,5-c]pyridazin-5-one CAS Name: 3-(4-nitrophenyl)-7-sulfanylidene-8H-pyrimido[4,5-c]pyridazin-5-one IUPAC Name: 3-(4-nitrophenyl)-7-sulfanylidene-8H-pyrimido[4,5-c]pyridazin-5-one Traditional Name: 3-(4-nitrophenyl)-7-thioxo-8H-pyrimido[4,5-c]pyridazin-5-one Formula: C12H7N5O3S MolecularWeight: 301.28068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C3C(=C2)C(=O)NC(=S)N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C3C(=C2)C(=O)NC(=S)N3)[N+](=O)[O-]

InChI

InChI=1S/C12H7N5O3S/c18-11-8-5-9(15-16-10(8)13-12(21)14-11)6-1-3-7(4-2-6)17(19)20/h1-5H,(H2,13,14,16,18,21)