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

Systemtic Name: 7-methoxy-6-nitro-2-(phenylmethylsulfanyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Openeye Name: 2-benzylsulfanyl-7-methoxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one CAS Name: 7-methoxy-6-nitro-2-(phenylmethylthio)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one IUPAC Name: 2-benzylsulfanyl-7-methoxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Traditional Name: 2-(benzylthio)-7-methoxy-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Formula: C13H10N4O4S2 MolecularWeight: 350.3729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N2C(=N1)SC(=N2)SCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=O)N2C(=N1)SC(=N2)SCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O4S2/c1-21-10-9(17(19)20)11(18)16-12(14-10)23-13(15-16)22-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3