(5E)-1-(4-chlorophenyl)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-(4-chlorophenyl)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-(4-chlorophenyl)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(4-chlorophenyl)-5-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(4-chlorophenyl)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-(4-chlorophenyl)-5-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C23H23ClN3O2S- MolecularWeight: 440.96562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=C3C(=NC(=S)N(C3=O)C4=CC=C(C=C4)Cl)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)/C=C/3\C(=NC(=S)N(C3=O)C4=CC=C(C=C4)Cl)[O-]

InChI

InChI=1S/C23H24ClN3O2S/c1-14-12-16(15(2)26(14)18-6-4-3-5-7-18)13-20-21(28)25-23(30)27(22(20)29)19-10-8-17(24)9-11-19/h8-13,18H,3-7H2,1-2H3,(H,25,28,30)/p-1/b20-13+