7-chloranyl-2-heptylsulfanyl-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 7-chloranyl-2-heptylsulfanyl-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-chloro-2-heptylsulfanyl-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-chloro-2-(heptylthio)-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-chloro-2-heptylsulfanyl-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-chloro-2-(heptylthio)-6-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C13H18ClN3OS2 MolecularWeight: 331.88452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NN2C(=O)C(=C(N=C2S1)Cl)C

Isomeric SMILES

CCCCCCCSC1=NN2C(=O)C(=C(N=C2S1)Cl)C

InChI

InChI=1S/C13H18ClN3OS2/c1-3-4-5-6-7-8-19-13-16-17-11(18)9(2)10(14)15-12(17)20-13/h3-8H2,1-2H3