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

Systemtic Name: 1-butan-2-yl-5-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-sec-butyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-butan-2-yl-5-[[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-butan-2-yl-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-sec-butyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C)C(=O)NC1=S

Isomeric SMILES

CCC(C)N1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)F)C)C(=O)NC1=S

InChI

InChI=1S/C21H22FN3O2S/c1-5-12(2)25-20(27)18(19(26)23-21(25)28)11-15-10-13(3)24(14(15)4)17-8-6-16(22)7-9-17/h6-12H,5H2,1-4H3,(H,23,26,28)