1-[2-(3-methoxyphenyl)-5-methylsulfonyl-2H-1,3,4-thiadiazol-3-yl]ethanone

Systemtic Name: 1-[2-(3-methoxyphenyl)-5-methylsulfonyl-2H-1,3,4-thiadiazol-3-yl]ethanone Openeye Name: 1-[2-(3-methoxyphenyl)-5-methylsulfonyl-2H-1,3,4-thiadiazol-3-yl]ethanone CAS Name: 1-[2-(3-methoxyphenyl)-5-methylsulfonyl-2H-1,3,4-thiadiazol-3-yl]ethanone IUPAC Name: 1-[2-(3-methoxyphenyl)-5-methylsulfonyl-2H-1,3,4-thiadiazol-3-yl]ethanone Traditional Name: 1-[5-mesyl-2-(3-methoxyphenyl)-2H-1,3,4-thiadiazol-3-yl]ethanone Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(=N1)S(=O)(=O)C)C2=CC(=CC=C2)OC

Isomeric SMILES

CC(=O)N1C(SC(=N1)S(=O)(=O)C)C2=CC(=CC=C2)OC

InChI

InChI=1S/C12H14N2O4S2/c1-8(15)14-11(19-12(13-14)20(3,16)17)9-5-4-6-10(7-9)18-2/h4-7,11H,1-3H3