3-(3-methylsulfanyl-2-oxidanyl-propyl)-2H-phthalazine-1,4-dione

Systemtic Name: 3-(3-methylsulfanyl-2-oxidanyl-propyl)-2H-phthalazine-1,4-dione Openeye Name: 3-(2-hydroxy-3-methylsulfanyl-propyl)-2H-phthalazine-1,4-dione CAS Name: 3-[2-hydroxy-3-(methylthio)propyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-(2-hydroxy-3-methylsulfanylpropyl)-2H-phthalazine-1,4-dione Traditional Name: 3-[2-hydroxy-3-(methylthio)propyl]-2H-phthalazine-1,4-quinone Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(CN1C(=O)C2=CC=CC=C2C(=O)N1)O

Isomeric SMILES

CSCC(CN1C(=O)C2=CC=CC=C2C(=O)N1)O

InChI

InChI=1S/C12H14N2O3S/c1-18-7-8(15)6-14-12(17)10-5-3-2-4-9(10)11(16)13-14/h2-5,8,15H,6-7H2,1H3,(H,13,16)