2-heptylsulfanyl-5-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carbonitrile

Systemtic Name: 2-heptylsulfanyl-5-oxidanylidene-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carbonitrile Openeye Name: 2-heptylsulfanyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carbonitrile CAS Name: 2-(heptylthio)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carbonitrile IUPAC Name: 2-heptylsulfanyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carbonitrile Traditional Name: 2-(heptylthio)-5-keto-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carbonitrile Formula: C13H16N4OS2 MolecularWeight: 308.42234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NN2C(=O)C(=CN=C2S1)C#N

Isomeric SMILES

CCCCCCCSC1=NN2C(=O)C(=CN=C2S1)C#N

InChI

InChI=1S/C13H16N4OS2/c1-2-3-4-5-6-7-19-13-16-17-11(18)10(8-14)9-15-12(17)20-13/h9H,2-7H2,1H3