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

Systemtic Name: 5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-(4-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-(4-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H18FN3O2S MolecularWeight: 383.439223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN3O2S/c1-11-9-13(12(2)23(11)15-7-8-15)10-17-18(25)22-20(27)24(19(17)26)16-5-3-14(21)4-6-16/h3-6,9-10,15H,7-8H2,1-2H3,(H,22,25,27)