(5Z)-1-(3-chlorophenyl)-5-[(2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-1-(3-chlorophenyl)-5-[(2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-(3-chlorophenyl)-5-[(2-methyl-4-pyrrolidin-1-yl-phenyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-(3-chlorophenyl)-5-[[2-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-1-(3-chlorophenyl)-5-[(2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-(3-chlorophenyl)-6-keto-5-(2-methyl-4-pyrrolidino-benzylidene)-2-thioxo-pyrimidin-4-olate Formula: C22H19ClN3O2S- MolecularWeight: 424.92316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)C=C3C(=NC(=S)N(C3=O)C4=CC(=CC=C4)Cl)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)/C=C\3/C(=NC(=S)N(C3=O)C4=CC(=CC=C4)Cl)[O-]

InChI

InChI=1S/C22H20ClN3O2S/c1-14-11-17(25-9-2-3-10-25)8-7-15(14)12-19-20(27)24-22(29)26(21(19)28)18-6-4-5-16(23)13-18/h4-8,11-13H,2-3,9-10H2,1H3,(H,24,27,29)/p-1/b19-12-