2-hexylsulfanyl-7-iodanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 2-hexylsulfanyl-7-iodanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 2-hexylsulfanyl-7-iodo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 2-(hexylthio)-7-iodo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 2-hexylsulfanyl-7-iodo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 2-(hexylthio)-7-iodo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C11H14IN3OS2 MolecularWeight: 395.28283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN2C(=O)C=C(N=C2S1)I

Isomeric SMILES

CCCCCCSC1=NN2C(=O)C=C(N=C2S1)I

InChI

InChI=1S/C11H14IN3OS2/c1-2-3-4-5-6-17-11-14-15-9(16)7-8(12)13-10(15)18-11/h7H,2-6H2,1H3