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

Systemtic Name: (5Z)-1-butyl-5-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-butyl-5-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-butyl-5-[[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-1-butyl-5-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-butyl-5-[[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C21H21ClN3O2S- MolecularWeight: 414.92834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)Cl)C)C(=NC1=S)[O-]

Isomeric SMILES

CCCCN1C(=O)/C(=C\C2=C(N(C(=C2)C)C3=CC=C(C=C3)Cl)C)/C(=NC1=S)[O-]

InChI

InChI=1S/C21H22ClN3O2S/c1-4-5-10-24-20(27)18(19(26)23-21(24)28)12-15-11-13(2)25(14(15)3)17-8-6-16(22)7-9-17/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,26,28)/p-1/b18-12-