2-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-methyl-pyrimidin-4-olate Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-methyl-pyrimidin-4-olate CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-6-methyl-4-pyrimidinolate IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-methylpyrimidin-4-olate Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-6-methyl-pyrimidin-4-olate Formula: C13H10N3OS2- MolecularWeight: 288.368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=CC=CC=C3S2)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=CC=CC=C3S2)[O-]

InChI

InChI=1S/C13H11N3OS2/c1-8-6-11(17)16-13(14-8)18-7-12-15-9-4-2-3-5-10(9)19-12/h2-6H,7H2,1H3,(H,14,16,17)/p-1