1-[3-[tert-butyl(methylsulfanyl)amino]-2-oxidanyl-propyl]-6-methyl-2H-indazol-4-one

Systemtic Name: 1-[3-[tert-butyl(methylsulfanyl)amino]-2-oxidanyl-propyl]-6-methyl-2H-indazol-4-one Openeye Name: 1-[3-[tert-butyl(methylsulfanyl)amino]-2-hydroxy-propyl]-6-methyl-2H-indazol-4-one CAS Name: N-tert-butyl-N-[2-hydroxy-3-(6-methyl-4-oxo-2H-indazol-1-yl)propyl]methanesulfenamide IUPAC Name: 1-[3-[tert-butyl(methylsulfanyl)amino]-2-hydroxypropyl]-6-methyl-2H-indazol-4-one Traditional Name: 1-[3-[tert-butyl-(methylthio)amino]-2-hydroxy-propyl]-6-methyl-2H-indazol-4-one Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=CNN(C2=C1)CC(CN(C(C)(C)C)SC)O

Isomeric SMILES

CC1=CC(=O)C2=CNN(C2=C1)CC(CN(C(C)(C)C)SC)O

InChI

InChI=1S/C16H25N3O2S/c1-11-6-14-13(15(21)7-11)8-17-18(14)9-12(20)10-19(22-5)16(2,3)4/h6-8,12,17,20H,9-10H2,1-5H3