1-ethylsulfanyl-3-piperidin-1-yl-propan-2-ol; 8-fluoranyl-6-azabicyclo[3.2.1]octa-1(8),2,4-trien-7-one

Systemtic Name: 1-ethylsulfanyl-3-piperidin-1-yl-propan-2-ol; 8-fluoranyl-6-azabicyclo[3.2.1]octa-1(8),2,4-trien-7-one Openeye Name: 1-ethylsulfanyl-3-(1-piperidyl)propan-2-ol; 8-fluoro-6-azabicyclo[3.2.1]octa-1(8),2,4-trien-7-one CAS Name: 1-(ethylthio)-3-(1-piperidinyl)-2-propanol; 8-fluoro-6-azabicyclo[3.2.1]octa-1(8),2,4-trien-7-one IUPAC Name: 1-ethylsulfanyl-3-piperidin-1-ylpropan-2-ol; 8-fluoro-6-azabicyclo[3.2.1]octa-1(8),2,4-trien-7-one Traditional Name: 1-(ethylthio)-3-piperidino-propan-2-ol; 8-fluoro-6-azabicyclo[3.2.1]octa-1(8),2,4-trien-7-one Formula: C17H25FN2O2S MolecularWeight: 340.456003

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(CN1CCCCC1)O.C1=CC2=C(C(=C1)NC2=O)F

Isomeric SMILES

CCSCC(CN1CCCCC1)O.C1=CC2=C(C(=C1)NC2=O)F

InChI

InChI=1S/C10H21NOS.C7H4FNO/c1-2-13-9-10(12)8-11-6-4-3-5-7-11;8-6-4-2-1-3-5(6)9-7(4)10/h10,12H,2-9H2,1H3;1-3H,(H,9,10)