6-iodanyl-2-(phenylmethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 6-iodanyl-2-(phenylmethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 2-benzylsulfanyl-6-iodo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 6-iodo-2-(phenylmethylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 2-benzylsulfanyl-6-iodo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 2-(benzylthio)-6-iodo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C12H8IN3OS2 MolecularWeight: 401.24589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN3C(=O)C(=CN=C3S2)I

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN3C(=O)C(=CN=C3S2)I

InChI

InChI=1S/C12H8IN3OS2/c13-9-6-14-11-16(10(9)17)15-12(19-11)18-7-8-4-2-1-3-5-8/h1-6H,7H2