4-chloranyl-2-(diethoxyphosphinothioylsulfanylmethyl)phthalazin-1-one

Systemtic Name: 4-chloranyl-2-(diethoxyphosphinothioylsulfanylmethyl)phthalazin-1-one Openeye Name: 4-chloro-2-(diethoxyphosphinothioylsulfanylmethyl)phthalazin-1-one CAS Name: 4-chloro-2-[(diethoxyphosphinothioylthio)methyl]-1-phthalazinone IUPAC Name: 4-chloro-2-(diethoxyphosphinothioylsulfanylmethyl)phthalazin-1-one Traditional Name: 4-chloro-2-[(diethoxythiophosphorylthio)methyl]phthalazin-1-one Formula: C13H16ClN2O3PS2 MolecularWeight: 378.834501

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2C(=N1)Cl

Isomeric SMILES

CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2C(=N1)Cl

InChI

InChI=1S/C13H16ClN2O3PS2/c1-3-18-20(21,19-4-2)22-9-16-13(17)11-8-6-5-7-10(11)12(14)15-16/h5-8H,3-4,9H2,1-2H3