6-oxidanylidene-5-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]azanidylsulfonyl]-1H-pyrimidin-2-olate

Systemtic Name: 6-oxidanylidene-5-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]azanidylsulfonyl]-1H-pyrimidin-2-olate Openeye Name: 5-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)azanidylsulfonyl]-6-oxo-1H-pyrimidin-2-olate CAS Name: 6-oxo-5-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]azanidylsulfonyl]-1H-pyrimidin-2-olate IUPAC Name: 5-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)azanidylsulfonyl]-6-oxo-1H-pyrimidin-2-olate Traditional Name: 5-[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]azanidylsulfonyl]-6-keto-1H-pyrimidin-2-olate Formula: C13H9N5O4S3-2 MolecularWeight: 395.43666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)[N-]S(=O)(=O)C3=CN=C(NC3=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)[N-]S(=O)(=O)C3=CN=C(NC3=O)[O-]

InChI

InChI=1S/C13H11N5O4S3/c19-10-9(6-14-11(20)15-10)25(21,22)18-12-16-17-13(24-12)23-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,14,15,16,18,19,20)/p-2