[2-(4-fluorophenyl)-2-oxidanylidene-1-(1,2,4-triazol-1-yl)ethyl] 2-diethoxyphosphinothioylsulfanylethanoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-1-(1,2,4-triazol-1-yl)ethyl] 2-diethoxyphosphinothioylsulfanylethanoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-1-(1,2,4-triazol-1-yl)ethyl] 2-diethoxyphosphinothioylsulfanylacetate CAS Name: 2-(diethoxyphosphinothioylthio)acetic acid [2-(4-fluorophenyl)-2-oxo-1-(1,2,4-triazol-1-yl)ethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxo-1-(1,2,4-triazol-1-yl)ethyl] 2-diethoxyphosphinothioylsulfanylacetate Traditional Name: 2-(diethoxythiophosphorylthio)acetic acid [2-(4-fluorophenyl)-2-keto-1-(1,2,4-triazol-1-yl)ethyl] ester Formula: C16H19FN3O5PS2 MolecularWeight: 447.441324

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)SCC(=O)OC(C(=O)C1=CC=C(C=C1)F)N2C=NC=N2

Isomeric SMILES

CCOP(=S)(OCC)SCC(=O)OC(C(=O)C1=CC=C(C=C1)F)N2C=NC=N2

InChI

InChI=1S/C16H19FN3O5PS2/c1-3-23-26(27,24-4-2)28-9-14(21)25-16(20-11-18-10-19-20)15(22)12-5-7-13(17)8-6-12/h5-8,10-11,16H,3-4,9H2,1-2H3