2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C20H12FN5O3S2 MolecularWeight: 453.469383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=NC(=O)C5=C(N4)C=CS5)F

Isomeric SMILES

C1=CC(=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC4=NC(=O)C5=C(N4)C=CS5)F

InChI

InChI=1S/C20H12FN5O3S2/c21-11-1-3-12(4-2-11)25-16-6-5-13(26(28)29)9-15(16)23-20(25)31-10-17-22-14-7-8-30-18(14)19(27)24-17/h1-9H,10H2,(H,22,24,27)