3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1-methyl-1,2,4-triazole

Systemtic Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1-methyl-1,2,4-triazole Openeye Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1-methyl-1,2,4-triazole CAS Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1-methyl-1,2,4-triazole IUPAC Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1-methyl-1,2,4-triazole Traditional Name: 3-methoxy-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1-methyl-1,2,4-triazole Formula: C11H13N3OS MolecularWeight: 235.30542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8OS.C3H5N3/c1-9-7-4-6-2-3-8(7)10-5-6;1-6-3-4-2-5-6/h2-4H,5H2,1H3;2-3H,1H3