2-hexylsulfonyl-7-methoxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 2-hexylsulfonyl-7-methoxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 2-hexylsulfonyl-7-methoxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 2-hexylsulfonyl-7-methoxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 2-hexylsulfonyl-7-methoxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 2-hexylsulfonyl-7-methoxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C12H16N4O6S2 MolecularWeight: 376.40864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=NN2C(=O)C(=C(N=C2S1)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCS(=O)(=O)C1=NN2C(=O)C(=C(N=C2S1)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O6S2/c1-3-4-5-6-7-24(20,21)12-14-15-10(17)8(16(18)19)9(22-2)13-11(15)23-12/h3-7H2,1-2H3