6-methoxy-7-(phenylmethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Systemtic Name: 6-methoxy-7-(phenylmethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 7-benzylsulfanyl-6-methoxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 6-methoxy-7-(phenylmethylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 7-benzylsulfanyl-6-methoxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 7-(benzylthio)-6-methoxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C13H11N3O2S2 MolecularWeight: 305.37534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=C2N(C1=O)N=CS2)SCC3=CC=CC=C3

Isomeric SMILES

COC1=C(N=C2N(C1=O)N=CS2)SCC3=CC=CC=C3

InChI

InChI=1S/C13H11N3O2S2/c1-18-10-11(19-7-9-5-3-2-4-6-9)15-13-16(12(10)17)14-8-20-13/h2-6,8H,7H2,1H3