3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1-pyrazol-1-ylpropan-2-ol

Systemtic Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1-pyrazol-1-ylpropan-2-ol Openeye Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1-pyrazol-1-ylpropan-2-ol CAS Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1-(1-pyrazolyl)-2-propanol IUPAC Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1-pyrazol-1-ylpropan-2-ol Traditional Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1-pyrazol-1-ylpropan-2-ol Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=CC=N1)O.COC1=C2C=CC(=C1)CS2

Isomeric SMILES

CC(CN1C=CC=N1)O.COC1=C2C=CC(=C1)CS2

InChI

InChI=1S/C8H8OS.C6H10N2O/c1-9-7-4-6-2-3-8(7)10-5-6;1-6(9)5-8-4-2-3-7-8/h2-4H,5H2,1H3;2-4,6,9H,5H2,1H3