1-(2-fluorophenyl)-5-[(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(2-fluorophenyl)-5-[(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-allyl-4-hydroxy-5-methoxy-phenyl)methylene]-1-(2-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(2-fluorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(2-fluorophenyl)-5-[(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-allyl-4-hydroxy-5-methoxy-benzylidene)-1-(2-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H17FN2O4S MolecularWeight: 412.434083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CC=C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F

Isomeric SMILES

COC1=CC(=CC(=C1O)CC=C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H17FN2O4S/c1-3-6-13-9-12(11-17(28-2)18(13)25)10-14-19(26)23-21(29)24(20(14)27)16-8-5-4-7-15(16)22/h3-5,7-11,25H,1,6H2,2H3,(H,23,26,29)