3-(furan-2-ylmethyl)-8-nitro-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(furan-2-ylmethyl)-8-nitro-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(2-furylmethyl)-8-nitro-2-phenacylsulfanyl-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-(2-furanylmethyl)-8-nitro-2-(phenacylthio)-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(furan-2-ylmethyl)-8-nitro-2-phenacylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(2-furfuryl)-8-nitro-2-(phenacylthio)benzothiopheno[3,2-d]pyrimidin-4-one Formula: C23H15N3O5S2 MolecularWeight: 477.5123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)SC5=C3C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CO4)SC5=C3C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O5S2/c27-18(14-5-2-1-3-6-14)13-32-23-24-20-17-11-15(26(29)30)8-9-19(17)33-21(20)22(28)25(23)12-16-7-4-10-31-16/h1-11H,12-13H2