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

Systemtic Name: (5Z)-5-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-allyl-5-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[[1-(3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-allyl-5-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C20H17ClN3O2S- MolecularWeight: 398.88588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=C3C(=NC(=S)N(C3=O)CC=C)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)/C=C\3/C(=NC(=S)N(C3=O)CC=C)[O-]

InChI

InChI=1S/C20H18ClN3O2S/c1-4-8-23-19(26)17(18(25)22-20(23)27)10-14-9-12(2)24(13(14)3)16-7-5-6-15(21)11-16/h4-7,9-11H,1,8H2,2-3H3,(H,22,25,27)/p-1/b17-10-