[3,3-dimethyl-2-oxidanylidene-1-(1,2,4-triazol-1-yl)butyl] 2-diethoxyphosphinothioylsulfanylethanoate

Systemtic Name: [3,3-dimethyl-2-oxidanylidene-1-(1,2,4-triazol-1-yl)butyl] 2-diethoxyphosphinothioylsulfanylethanoate Openeye Name: [3,3-dimethyl-2-oxo-1-(1,2,4-triazol-1-yl)butyl] 2-diethoxyphosphinothioylsulfanylacetate CAS Name: 2-(diethoxyphosphinothioylthio)acetic acid [3,3-dimethyl-2-oxo-1-(1,2,4-triazol-1-yl)butyl] ester IUPAC Name: [3,3-dimethyl-2-oxo-1-(1,2,4-triazol-1-yl)butyl] 2-diethoxyphosphinothioylsulfanylacetate Traditional Name: 2-(diethoxythiophosphorylthio)acetic acid [2-keto-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butyl] ester Formula: C14H24N3O5PS2 MolecularWeight: 409.461221

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)SCC(=O)OC(C(=O)C(C)(C)C)N1C=NC=N1

Isomeric SMILES

CCOP(=S)(OCC)SCC(=O)OC(C(=O)C(C)(C)C)N1C=NC=N1

InChI

InChI=1S/C14H24N3O5PS2/c1-6-20-23(24,21-7-2)25-8-11(18)22-13(12(19)14(3,4)5)17-10-15-9-16-17/h9-10,13H,6-8H2,1-5H3