6-ethynyl-2-heptylsulfonyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 6-ethynyl-2-heptylsulfonyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 6-ethynyl-2-heptylsulfonyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 6-ethynyl-2-heptylsulfonyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 6-ethynyl-2-heptylsulfonyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 6-ethynyl-2-heptylsulfonyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCS(=O)(=O)C1=NN2C(=O)C(=CN=C2S1)C#C

Isomeric SMILES

CCCCCCCS(=O)(=O)C1=NN2C(=O)C(=CN=C2S1)C#C

InChI

InChI=1S/C14H17N3O3S2/c1-3-5-6-7-8-9-22(19,20)14-16-17-12(18)11(4-2)10-15-13(17)21-14/h2,10H,3,5-9H2,1H3