5-cyano-6-(furan-2-yl)-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-6-(furan-2-yl)-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-cyano-6-(2-furyl)-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-cyano-6-(2-furanyl)-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 5-cyano-6-(furan-2-yl)-2-[2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-cyano-6-(2-furyl)-2-[[2-keto-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]ethyl]thio]pyrimidin-4-olate Formula: C18H9N6O5S2- MolecularWeight: 453.43126

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C(C(=NC(=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[O-])C#N

Isomeric SMILES

C1=COC(=C1)C2=C(C(=NC(=N2)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[O-])C#N

InChI

InChI=1S/C18H10N6O5S2/c19-7-10-15(12-2-1-5-29-12)22-17(23-16(10)26)30-8-14(25)21-18-20-11-4-3-9(24(27)28)6-13(11)31-18/h1-6H,8H2,(H,20,21,25)(H,22,23,26)/p-1