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

Systemtic Name: 5-[(3-bromanyl-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-4-prop-2-ynoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-bromo-4-prop-2-ynoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-(3-bromo-4-propargyloxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC#C)Br)C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)C(=CC2=CC(=C(C=C2)OCC#C)Br)C(=O)NC1=S

InChI

InChI=1S/C17H13BrN2O3S/c1-3-7-20-16(22)12(15(21)19-17(20)24)9-11-5-6-14(13(18)10-11)23-8-4-2/h2-3,5-6,9-10H,1,7-8H2,(H,19,21,24)