2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H12FN3OS3 MolecularWeight: 425.522183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)N3

InChI

InChI=1S/C20H12FN3OS3/c21-12-7-5-11(6-8-12)13-9-26-19-17(13)18(25)23-16(24-19)10-27-20-22-14-3-1-2-4-15(14)28-20/h1-9H,10H2,(H,23,24,25)