1-(2-azanyl-4-methylsulfanyl-2-oxidanyl-hexyl)-6-methyl-2H-indazol-4-one

Systemtic Name: 1-(2-azanyl-4-methylsulfanyl-2-oxidanyl-hexyl)-6-methyl-2H-indazol-4-one Openeye Name: 1-(2-amino-2-hydroxy-4-methylsulfanyl-hexyl)-6-methyl-2H-indazol-4-one CAS Name: 1-[2-amino-2-hydroxy-4-(methylthio)hexyl]-6-methyl-2H-indazol-4-one IUPAC Name: 1-(2-amino-2-hydroxy-4-methylsulfanylhexyl)-6-methyl-2H-indazol-4-one Traditional Name: 1-[2-amino-2-hydroxy-4-(methylthio)hexyl]-6-methyl-2H-indazol-4-one Formula: C15H23N3O2S MolecularWeight: 309.42702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CN1C2=CC(=CC(=O)C2=CN1)C)(N)O)SC

Isomeric SMILES

CCC(CC(CN1C2=CC(=CC(=O)C2=CN1)C)(N)O)SC

InChI

InChI=1S/C15H23N3O2S/c1-4-11(21-3)7-15(16,20)9-18-13-5-10(2)6-14(19)12(13)8-17-18/h5-6,8,11,17,20H,4,7,9,16H2,1-3H3