ethoxy-[2-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]phosphinic acid

Systemtic Name: ethoxy-[2-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-3-sulfanylidene-cyclohexa-1,5-dien-1-yl]phosphinic acid Openeye Name: ethoxy-[2-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-3-thioxo-cyclohexa-1,5-dien-1-yl]phosphinic acid CAS Name: ethoxy-[2-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-3-sulfanylidene-1-cyclohexa-1,5-dienyl]phosphinic acid IUPAC Name: ethoxy-[2-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-3-sulfanylidenecyclohexa-1,5-dien-1-yl]phosphinic acid Traditional Name: ethoxy-[2-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)-3-thioxo-cyclohexa-1,5-dien-1-yl]phosphinic acid Formula: C12H16N3O4PS MolecularWeight: 329.311901

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=C(C(=S)CC=C1)C2=NN(C(=N2)OC)C)O

Isomeric SMILES

CCOP(=O)(C1=C(C(=S)CC=C1)C2=NN(C(=N2)OC)C)O

InChI

InChI=1S/C12H16N3O4PS/c1-4-19-20(16,17)8-6-5-7-9(21)10(8)11-13-12(18-3)15(2)14-11/h5-6H,4,7H2,1-3H3,(H,16,17)