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

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-1-(1,2,4-triazol-1-yl)ethyl] 2-dipropoxyphosphinothioylsulfanylethanoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-1-(1,2,4-triazol-1-yl)ethyl] 2-dipropoxyphosphinothioylsulfanylacetate CAS Name: 2-(dipropoxyphosphinothioylthio)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-dipropoxyphosphinothioylsulfanylacetate Traditional Name: 2-(dipropoxythiophosphorylthio)acetic acid [2-(4-fluorophenyl)-2-keto-1-(1,2,4-triazol-1-yl)ethyl] ester Formula: C18H23FN3O5PS2 MolecularWeight: 475.494484

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=S)(OCCC)SCC(=O)OC(C(=O)C1=CC=C(C=C1)F)N2C=NC=N2

Isomeric SMILES

CCCOP(=S)(OCCC)SCC(=O)OC(C(=O)C1=CC=C(C=C1)F)N2C=NC=N2

InChI

InChI=1S/C18H23FN3O5PS2/c1-3-9-25-28(29,26-10-4-2)30-11-16(23)27-18(22-13-20-12-21-22)17(24)14-5-7-15(19)8-6-14/h5-8,12-13,18H,3-4,9-11H2,1-2H3