2-heptylsulfanyl-6-iodanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 2-heptylsulfanyl-6-iodanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 2-heptylsulfanyl-6-iodo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 2-(heptylthio)-6-iodo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 2-heptylsulfanyl-6-iodo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 2-(heptylthio)-6-iodo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C12H16IN3OS2 MolecularWeight: 409.30941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NN2C(=O)C(=CN=C2S1)I

Isomeric SMILES

CCCCCCCSC1=NN2C(=O)C(=CN=C2S1)I

InChI

InChI=1S/C12H16IN3OS2/c1-2-3-4-5-6-7-18-12-15-16-10(17)9(13)8-14-11(16)19-12/h8H,2-7H2,1H3