1-(4-bromophenyl)-5-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-bromophenyl)-5-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-bromophenyl)-5-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromophenyl)-5-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromophenyl)-5-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-bromophenyl)-5-(3-ethoxy-4-propargyloxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H17BrN2O4S MolecularWeight: 485.35038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)OCC#C

InChI

InChI=1S/C22H17BrN2O4S/c1-3-11-29-18-10-5-14(13-19(18)28-4-2)12-17-20(26)24-22(30)25(21(17)27)16-8-6-15(23)7-9-16/h1,5-10,12-13H,4,11H2,2H3,(H,24,26,30)