6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-thioxo-1H-pyrimidin-4-one Formula: C12H9N3OS3 MolecularWeight: 307.41436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=O)NC(=S)N3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=O)NC(=S)N3

InChI

InChI=1S/C12H9N3OS3/c16-10-5-7(13-11(17)15-10)6-18-12-14-8-3-1-2-4-9(8)19-12/h1-5H,6H2,(H2,13,15,16,17)