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

Systemtic Name: 1-(2-azanyl-4-methylsulfanyl-2-oxidanyl-hexyl)-2H-indazol-4-one Openeye Name: 1-(2-amino-2-hydroxy-4-methylsulfanyl-hexyl)-2H-indazol-4-one CAS Name: 1-[2-amino-2-hydroxy-4-(methylthio)hexyl]-2H-indazol-4-one IUPAC Name: 1-(2-amino-2-hydroxy-4-methylsulfanylhexyl)-2H-indazol-4-one Traditional Name: 1-[2-amino-2-hydroxy-4-(methylthio)hexyl]-2H-indazol-4-one Formula: C14H21N3O2S MolecularWeight: 295.40044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-3-10(20-2)7-14(15,19)9-17-12-5-4-6-13(18)11(12)8-16-17/h4-6,8,10,16,19H,3,7,9,15H2,1-2H3