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

Systemtic Name: 5-[(3-bromanyl-4-prop-2-ynoxy-phenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-bromo-4-prop-2-ynoxy-phenyl)methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-bromo-4-propargyloxy-benzylidene)-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC2=CC(=C(C=C2)OCC#C)Br)C(=O)N(C1=S)C

Isomeric SMILES

CN1C(=O)C(=CC2=CC(=C(C=C2)OCC#C)Br)C(=O)N(C1=S)C

InChI

InChI=1S/C16H13BrN2O3S/c1-4-7-22-13-6-5-10(9-12(13)17)8-11-14(20)18(2)16(23)19(3)15(11)21/h1,5-6,8-9H,7H2,2-3H3