4-chloranyl-2-[[ethoxy(oxidanyl)phosphinothioyl]sulfanylmethyl]-2-propan-2-yl-phthalazin-2-ium-1-one

Systemtic Name: 4-chloranyl-2-[[ethoxy(oxidanyl)phosphinothioyl]sulfanylmethyl]-2-propan-2-yl-phthalazin-2-ium-1-one Openeye Name: 4-chloro-2-[[ethoxy(hydroxy)phosphinothioyl]sulfanylmethyl]-2-isopropyl-phthalazin-2-ium-1-one CAS Name: 4-chloro-2-[[[ethoxy(hydroxy)phosphinothioyl]thio]methyl]-2-propan-2-yl-1-phthalazin-2-iumone IUPAC Name: 4-chloro-2-[[ethoxy(hydroxy)phosphinothioyl]sulfanylmethyl]-2-propan-2-ylphthalazin-2-ium-1-one Traditional Name: 4-chloro-2-[[[ethoxy(hydroxy)thiophosphoryl]thio]methyl]-2-isopropyl-phthalazin-2-ium-1-one Formula: C14H19ClN2O3PS2+ MolecularWeight: 393.869021

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(O)SC[N+]1(C(=O)C2=CC=CC=C2C(=N1)Cl)C(C)C

Isomeric SMILES

CCOP(=S)(O)SC[N+]1(C(=O)C2=CC=CC=C2C(=N1)Cl)C(C)C

InChI

InChI=1S/C14H18ClN2O3PS2/c1-4-20-21(19,22)23-9-17(10(2)3)14(18)12-8-6-5-7-11(12)13(15)16-17/h5-8,10H,4,9H2,1-3H3/p+1