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

Systemtic Name: (5Z)-5-[[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-allyl-5-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-5-[[5-(2-bromo-4-nitrophenyl)-2-furanyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-allyl-5-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H12BrN3O5S MolecularWeight: 462.27398

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C\C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)/C(=O)NC1=S

InChI

InChI=1S/C18H12BrN3O5S/c1-2-7-21-17(24)13(16(23)20-18(21)28)9-11-4-6-15(27-11)12-5-3-10(22(25)26)8-14(12)19/h2-6,8-9H,1,7H2,(H,20,23,28)/b13-9-