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

Systemtic Name: 5-[(3-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[(3-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-(3-bromo-5-ethoxy-4-propargyloxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O4S/c1-4-7-22-18(24)13(17(23)21-19(22)27)9-12-10-14(20)16(26-8-5-2)15(11-12)25-6-3/h2,4,9-11H,1,6-8H2,3H3,(H,21,23,27)