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

Systemtic Name: 3-methyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1,2,4-thiadiazol-3-one Openeye Name: 3-methyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1,2,4-thiadiazol-3-one CAS Name: 3-methyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1,2,4-thiadiazol-3-one IUPAC Name: 3-methyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1,2,4-thiadiazol-3-one Traditional Name: 3-methyl-8-thiabicyclo[2.2.2]octa-1,3,5-triene; 1,2,4-thiadiazol-3-one Formula: C10H10N2OS2 MolecularWeight: 238.3292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=C1)CS2.C1=NC(=O)NS1

Isomeric SMILES

CC1=C2C=CC(=C1)CS2.C1=NC(=O)NS1

InChI

InChI=1S/C8H8S.C2H2N2OS/c1-6-4-7-2-3-8(6)9-5-7;5-2-3-1-6-4-2/h2-4H,5H2,1H3;1H,(H,4,5)