3-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one

Systemtic Name: 3-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one Openeye Name: 3-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one CAS Name: 3-[(2-pyrimidinylthio)methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-benzotriazin-4-one Traditional Name: 3-[(2-pyrimidylthio)methyl]-1,2,3-benzotriazin-4-one Formula: C12H9N5OS MolecularWeight: 271.29776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N5OS/c18-11-9-4-1-2-5-10(9)15-16-17(11)8-19-12-13-6-3-7-14-12/h1-7H,8H2