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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC#C)Br)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC#C)Br)C(=O)NC2=S

InChI

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