2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-4-pyrimidinolate IUPAC Name: 2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]pyrimidin-4-olate Formula: C12H8N5O2S- MolecularWeight: 286.28922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC=CC(=N3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=NC=CC(=N3)[O-]

InChI

InChI=1S/C12H9N5O2S/c18-10-5-6-13-12(14-10)20-7-17-11(19)8-3-1-2-4-9(8)15-16-17/h1-6H,7H2,(H,13,14,18)/p-1