6-(3-chlorophenyl)-5-cyano-2-[2-(2,3-dimethylindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-(3-chlorophenyl)-5-cyano-2-[2-(2,3-dimethylindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-(3-chlorophenyl)-5-cyano-2-[2-(2,3-dimethylindol-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-(3-chlorophenyl)-5-cyano-2-[[2-(2,3-dimethyl-1-indolyl)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-(3-chlorophenyl)-5-cyano-2-[2-(2,3-dimethylindol-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-(3-chlorophenyl)-5-cyano-2-[[2-(2,3-dimethylindol-1-yl)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C23H16ClN4O2S- MolecularWeight: 447.91674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NC(=C(C(=N3)[O-])C#N)C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NC(=C(C(=N3)[O-])C#N)C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C23H17ClN4O2S/c1-13-14(2)28(19-9-4-3-8-17(13)19)20(29)12-31-23-26-21(18(11-25)22(30)27-23)15-6-5-7-16(24)10-15/h3-10H,12H2,1-2H3,(H,26,27,30)/p-1