2-[1-(2-hydroxyethylsulfanyl)-2-methyl-propan-2-yl]-1H-indazol-3-one

Systemtic Name: 2-[1-(2-hydroxyethylsulfanyl)-2-methyl-propan-2-yl]-1H-indazol-3-one Openeye Name: 2-[2-(2-hydroxyethylsulfanyl)-1,1-dimethyl-ethyl]-1H-indazol-3-one CAS Name: 2-[1-(2-hydroxyethylthio)-2-methylpropan-2-yl]-1H-indazol-3-one IUPAC Name: 2-[1-(2-hydroxyethylsulfanyl)-2-methylpropan-2-yl]-1H-indazol-3-one Traditional Name: 2-[2-(2-hydroxyethylthio)-1,1-dimethyl-ethyl]indazolin-3-one Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSCCO)N1C(=O)C2=CC=CC=C2N1

Isomeric SMILES

CC(C)(CSCCO)N1C(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C13H18N2O2S/c1-13(2,9-18-8-7-16)15-12(17)10-5-3-4-6-11(10)14-15/h3-6,14,16H,7-9H2,1-2H3