5-oxidanylidene-2-(phenylmethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carbonitrile

Systemtic Name: 5-oxidanylidene-2-(phenylmethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carbonitrile Openeye Name: 2-benzylsulfanyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carbonitrile CAS Name: 5-oxo-2-(phenylmethylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carbonitrile IUPAC Name: 2-benzylsulfanyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carbonitrile Traditional Name: 2-(benzylthio)-5-keto-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carbonitrile Formula: C13H8N4OS2 MolecularWeight: 300.35882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN3C(=O)C(=CN=C3S2)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN3C(=O)C(=CN=C3S2)C#N

InChI

InChI=1S/C13H8N4OS2/c14-6-10-7-15-12-17(11(10)18)16-13(20-12)19-8-9-4-2-1-3-5-9/h1-5,7H,8H2