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

Systemtic Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzoxazol-2-ylthio)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzoxazol-2-ylthio)methyl]-2-thioxo-1H-pyrimidin-4-one Formula: C12H9N3O2S2 MolecularWeight: 291.34876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC3=CC(=O)NC(=S)N3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC3=CC(=O)NC(=S)N3

InChI

InChI=1S/C12H9N3O2S2/c16-10-5-7(13-11(18)15-10)6-19-12-14-8-3-1-2-4-9(8)17-12/h1-5H,6H2,(H2,13,15,16,18)