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

Systemtic Name: 2-hexylsulfanyl-6-nitro-5-oxidanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: 2-hexylsulfanyl-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: 2-(hexylthio)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: 2-hexylsulfanyl-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: 2-(hexylthio)-5-hydroxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C11H14N4O4S2 MolecularWeight: 330.38326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN2C(=C(C(=O)N=C2S1)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCSC1=NN2C(=C(C(=O)N=C2S1)[N+](=O)[O-])O

InChI

InChI=1S/C11H14N4O4S2/c1-2-3-4-5-6-20-11-13-14-9(17)7(15(18)19)8(16)12-10(14)21-11/h17H,2-6H2,1H3