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

Systemtic Name: [3,3-dimethyl-2-oxidanylidene-1-(1,2,4-triazol-1-yl)butyl] 2-dimethoxyphosphinothioylsulfanylethanoate Openeye Name: [3,3-dimethyl-2-oxo-1-(1,2,4-triazol-1-yl)butyl] 2-dimethoxyphosphinothioylsulfanylacetate CAS Name: 2-(dimethoxyphosphinothioylthio)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-dimethoxyphosphinothioylsulfanylacetate Traditional Name: 2-(dimethoxythiophosphorylthio)acetic acid [2-keto-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butyl] ester Formula: C12H20N3O5PS2 MolecularWeight: 381.408061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(N1C=NC=N1)OC(=O)CSP(=S)(OC)OC

Isomeric SMILES

CC(C)(C)C(=O)C(N1C=NC=N1)OC(=O)CSP(=S)(OC)OC

InChI

InChI=1S/C12H20N3O5PS2/c1-12(2,3)10(17)11(15-8-13-7-14-15)20-9(16)6-23-21(22,18-4)19-5/h7-8,11H,6H2,1-5H3