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

Systemtic Name: 2-hexylsulfanyl-7-prop-1-ynyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 2-hexylsulfanyl-7-prop-1-ynyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 2-(hexylthio)-7-prop-1-ynyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 2-hexylsulfanyl-7-prop-1-ynyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 2-(hexylthio)-7-prop-1-ynyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C14H17N3OS2 MolecularWeight: 307.43428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN2C(=O)C=C(N=C2S1)C#CC

Isomeric SMILES

CCCCCCSC1=NN2C(=O)C=C(N=C2S1)C#CC

InChI

InChI=1S/C14H17N3OS2/c1-3-5-6-7-9-19-14-16-17-12(18)10-11(8-4-2)15-13(17)20-14/h10H,3,5-7,9H2,1-2H3