3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(6-oxo-1H-pyrimidin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(6-keto-1H-pyrimidin-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)