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

Systemtic Name: 6-(4-chlorophenyl)-5-cyano-2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-(4-chlorophenyl)-5-cyano-2-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-(4-chlorophenyl)-5-cyano-2-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-(4-chlorophenyl)-5-cyano-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-(4-chlorophenyl)-5-cyano-2-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C21H12ClN4O2S- MolecularWeight: 419.86358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NC(=C(C(=N3)[O-])C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NC(=C(C(=N3)[O-])C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H13ClN4O2S/c22-13-7-5-12(6-8-13)19-15(9-23)20(28)26-21(25-19)29-11-18(27)16-10-24-17-4-2-1-3-14(16)17/h1-8,10,24H,11H2,(H,25,26,28)/p-1