[3,3-dimethyl-2-oxidanylidene-1-(1,2,4-triazol-1-yl)butyl] 2-di(propan-2-yloxy)phosphinothioylsulfanylethanoate

Systemtic Name: [3,3-dimethyl-2-oxidanylidene-1-(1,2,4-triazol-1-yl)butyl] 2-di(propan-2-yloxy)phosphinothioylsulfanylethanoate Openeye Name: [3,3-dimethyl-2-oxo-1-(1,2,4-triazol-1-yl)butyl] 2-diisopropoxyphosphinothioylsulfanylacetate CAS Name: 2-[di(propan-2-yloxy)phosphinothioylthio]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-di(propan-2-yloxy)phosphinothioylsulfanylacetate Traditional Name: 2-(diisopropoxythiophosphorylthio)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:

CC(C)OP(=S)(OC(C)C)SCC(=O)OC(C(=O)C(C)(C)C)N1C=NC=N1

Isomeric SMILES

CC(C)OP(=S)(OC(C)C)SCC(=O)OC(C(=O)C(C)(C)C)N1C=NC=N1

InChI

InChI=1S/C16H28N3O5PS2/c1-11(2)23-25(26,24-12(3)4)27-8-13(20)22-15(14(21)16(5,6)7)19-10-17-9-18-19/h9-12,15H,8H2,1-7H3