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

Systemtic Name: 5-[[5-(2-bromanyl-5-methyl-phenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[5-(2-bromo-5-methyl-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-(2-bromo-5-methylphenyl)-2-furanyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[5-(2-bromo-5-methylphenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[5-(2-bromo-5-methyl-phenyl)-2-furyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=CC(=C(C=C1)Br)C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C16H11BrN2O3S/c1-8-2-4-12(17)10(6-8)13-5-3-9(22-13)7-11-14(20)18-16(23)19-15(11)21/h2-7H,1H3,(H2,18,19,20,21,23)