5-[(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-fluorophenyl)-5-[(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methylidene]-1-(3-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-fluorophenyl)-5-[(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H20FN3O2S/c1-11(2)23-12(3)8-14(13(23)4)9-17-18(25)22-20(27)24(19(17)26)16-7-5-6-15(21)10-16/h5-11H,1-4H3,(H,22,25,27)