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

Systemtic Name: 2-hexylsulfanyl-7-methoxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 2-hexylsulfanyl-7-methoxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 2-(hexylthio)-7-methoxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 2-hexylsulfanyl-7-methoxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 2-(hexylthio)-7-methoxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C12H16N4O4S2 MolecularWeight: 344.40984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4S2/c1-3-4-5-6-7-21-12-14-15-10(17)8(16(18)19)9(20-2)13-11(15)22-12/h3-7H2,1-2H3