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

Systemtic Name: [3,3-dimethyl-2-oxidanylidene-1-(1,2,4-triazol-1-yl)butyl] 2-dipropoxyphosphinothioylsulfanylethanoate Openeye Name: [3,3-dimethyl-2-oxo-1-(1,2,4-triazol-1-yl)butyl] 2-dipropoxyphosphinothioylsulfanylacetate CAS Name: 2-(dipropoxyphosphinothioylthio)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-dipropoxyphosphinothioylsulfanylacetate Traditional Name: 2-(dipropoxythiophosphorylthio)acetic acid [2-keto-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butyl] ester Formula: C16H28N3O5PS2 MolecularWeight: 437.514381

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=S)(OCCC)SCC(=O)OC(C(=O)C(C)(C)C)N1C=NC=N1

Isomeric SMILES

CCCOP(=S)(OCCC)SCC(=O)OC(C(=O)C(C)(C)C)N1C=NC=N1

InChI

InChI=1S/C16H28N3O5PS2/c1-6-8-22-25(26,23-9-7-2)27-10-13(20)24-15(14(21)16(3,4)5)19-12-17-11-18-19/h11-12,15H,6-10H2,1-5H3