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

Systemtic Name: [2-[1-(2-cyanoethyl)-6-oxidanylidene-pyridazin-3-yl]-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]-ethoxy-phosphinic acid Openeye Name: [2-[1-(2-cyanoethyl)-6-oxo-pyridazin-3-yl]-3-thioxo-cyclohexa-1,5-dien-1-yl]-ethoxy-phosphinic acid CAS Name: [2-[1-(2-cyanoethyl)-6-oxo-3-pyridazinyl]-3-sulfanylidene-1-cyclohexa-1,5-dienyl]-ethoxyphosphinic acid IUPAC Name: [2-[1-(2-cyanoethyl)-6-oxopyridazin-3-yl]-3-sulfanylidenecyclohexa-1,5-dien-1-yl]-ethoxyphosphinic acid Traditional Name: [2-[1-(2-cyanoethyl)-6-keto-pyridazin-3-yl]-3-thioxo-cyclohexa-1,5-dien-1-yl]-ethoxy-phosphinic acid Formula: C15H16N3O4PS MolecularWeight: 365.344001

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C(=S)CC=C1)C2=NN(C(=O)C=C2)CCC#N)O

Isomeric SMILES

CCOP(=O)(C1=C(C(=S)CC=C1)C2=NN(C(=O)C=C2)CCC#N)O

InChI

InChI=1S/C15H16N3O4PS/c1-2-22-23(20,21)12-5-3-6-13(24)15(12)11-7-8-14(19)18(17-11)10-4-9-16/h3,5,7-8H,2,4,6,10H2,1H3,(H,20,21)