8-(7-oxidanylideneoctan-2-ylsulfonyl)-8aH-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 8-(7-oxidanylideneoctan-2-ylsulfonyl)-8aH-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 8-(1-methyl-6-oxo-heptyl)sulfonyl-8aH-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 8-(7-oxooctan-2-ylsulfonyl)-8aH-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 8-(7-oxooctan-2-ylsulfonyl)-8aH-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 8-(6-keto-1-methyl-heptyl)sulfonyl-8aH-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C13H19N3O4S2 MolecularWeight: 345.43766

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(=O)C)S(=O)(=O)N1C=CC(=O)N2C1SC=N2

Isomeric SMILES

CC(CCCCC(=O)C)S(=O)(=O)N1C=CC(=O)N2C1SC=N2

InChI

InChI=1S/C13H19N3O4S2/c1-10(17)5-3-4-6-11(2)22(19,20)15-8-7-12(18)16-13(15)21-9-14-16/h7-9,11,13H,3-6H2,1-2H3