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

Systemtic Name: (5Z)-1-(3,5-dimethylphenyl)-5-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-(3,5-dimethylphenyl)-5-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(3,5-dimethylphenyl)-5-[[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(3,5-dimethylphenyl)-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-(3,5-dimethylphenyl)-5-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H22FN3O2S MolecularWeight: 447.524483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)F)C)C(=O)NC2=S)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)/C(=C\C3=C(N(C(=C3)C)C4=CC=C(C=C4)F)C)/C(=O)NC2=S)C

InChI

InChI=1S/C25H22FN3O2S/c1-14-9-15(2)11-21(10-14)29-24(31)22(23(30)27-25(29)32)13-18-12-16(3)28(17(18)4)20-7-5-19(26)6-8-20/h5-13H,1-4H3,(H,27,30,32)/b22-13-