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

Systemtic Name: 5-[(2-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2-bromo-5-ethoxy-4-propargyloxy-benzylidene)-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O4S/c1-4-6-24-14-9-12(18)10(8-13(14)23-5-2)7-11-15(21)19-17(25)20(3)16(11)22/h1,7-9H,5-6H2,2-3H3,(H,19,21,25)