ethoxy-[2-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]phosphinic acid

Systemtic Name: ethoxy-[2-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]phosphinic acid Openeye Name: ethoxy-[2-(6-oxo-1-phenyl-pyridazin-3-yl)-3-thioxo-cyclohexa-1,5-dien-1-yl]phosphinic acid CAS Name: ethoxy-[2-(6-oxo-1-phenyl-3-pyridazinyl)-3-sulfanylidene-1-cyclohexa-1,5-dienyl]phosphinic acid IUPAC Name: ethoxy-[2-(6-oxo-1-phenylpyridazin-3-yl)-3-sulfanylidenecyclohexa-1,5-dien-1-yl]phosphinic acid Traditional Name: ethoxy-[2-(6-keto-1-phenyl-pyridazin-3-yl)-3-thioxo-cyclohexa-1,5-dien-1-yl]phosphinic acid Formula: C18H17N2O4PS MolecularWeight: 388.377341

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C(=S)CC=C1)C2=NN(C(=O)C=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCOP(=O)(C1=C(C(=S)CC=C1)C2=NN(C(=O)C=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C18H17N2O4PS/c1-2-24-25(22,23)15-9-6-10-16(26)18(15)14-11-12-17(21)20(19-14)13-7-4-3-5-8-13/h3-9,11-12H,2,10H2,1H3,(H,22,23)