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

Systemtic Name: 3-(furan-2-ylmethyl)-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 3-(2-furylmethyl)-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 3-(2-furanylmethyl)-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 3-(furan-2-ylmethyl)-8-nitro-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 3-(2-furfuryl)-8-nitro-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C15H9N3O4S2 MolecularWeight: 359.37966

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S

Isomeric SMILES

C1=COC(=C1)CN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S

InChI

InChI=1S/C15H9N3O4S2/c19-14-13-12(10-6-8(18(20)21)3-4-11(10)24-13)16-15(23)17(14)7-9-2-1-5-22-9/h1-6H,7H2,(H,16,23)