2-[(E)-2-[5-(4-chlorophenyl)sulfanylfuran-2-yl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[(E)-2-[5-(4-chlorophenyl)sulfanylfuran-2-yl]ethenyl]-5-nitro-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 2-[(E)-2-[5-(4-chlorophenyl)sulfanyl-2-furyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one CAS Name: 2-[(E)-2-[5-[(4-chlorophenyl)thio]-2-furanyl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one IUPAC Name: 2-[(E)-2-[5-(4-chlorophenyl)sulfanylfuran-2-yl]ethenyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Traditional Name: 2-[(E)-2-[5-[(4-chlorophenyl)thio]-2-furyl]vinyl]-4-hydroxy-5-nitro-1H-pyrimidin-6-one Formula: C16H10ClN3O5S MolecularWeight: 391.7857

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O)Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=CC=C(O2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C16H10ClN3O5S/c17-9-1-5-11(6-2-9)26-13-8-4-10(25-13)3-7-12-18-15(21)14(20(23)24)16(22)19-12/h1-8H,(H2,18,19,21,22)/b7-3+